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@@ -230,6 +230,7 @@ <h1>Source code for qsprpred.data.sources.papyrus.papyrus_class</h1><div class="
             <span class="k">raise</span> <span class="ne">ValueError</span><span class="p">(</span><span class="sa">f</span><span class="s2">&quot;Output directory &#39;</span><span class="si">{</span><span class="n">output_dir</span><span class="si">}</span><span class="s2">&#39; does not exist.&quot;</span><span class="p">)</span>
         <span class="n">logger</span><span class="o">.</span><span class="n">debug</span><span class="p">(</span><span class="sa">f</span><span class="s2">&quot;Filtering Papyrus for accession keys: </span><span class="si">{</span><span class="n">acc_keys</span><span class="si">}</span><span class="s2">&quot;</span><span class="p">)</span>
         <span class="n">data</span><span class="p">,</span> <span class="n">path</span> <span class="o">=</span> <span class="n">papyrus_filter</span><span class="p">(</span>
+            <span class="n">version</span><span class="o">=</span><span class="bp">self</span><span class="o">.</span><span class="n">version</span><span class="p">,</span>
             <span class="n">acc_key</span><span class="o">=</span><span class="n">acc_keys</span><span class="p">,</span>
             <span class="n">quality</span><span class="o">=</span><span class="n">quality</span><span class="p">,</span>
             <span class="n">outdir</span><span class="o">=</span><span class="n">output_dir</span><span class="p">,</span>
diff --git a/docs/_modules/qsprpred/data/sources/papyrus/papyrus_filter.html b/docs/_modules/qsprpred/data/sources/papyrus/papyrus_filter.html
index d9993cbc..0a0a490b 100644
--- a/docs/_modules/qsprpred/data/sources/papyrus/papyrus_filter.html
+++ b/docs/_modules/qsprpred/data/sources/papyrus/papyrus_filter.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.sources.papyrus.papyrus_filter &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.sources.papyrus.papyrus_filter &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../../../../../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../../../../../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -16,7 +16,7 @@
   
         <script src="../../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../../../../../" id="documentation_options" src="../../../../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../../../../" id="documentation_options" src="../../../../../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -53,7 +53,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../../../../../search.html" method="get">
@@ -114,6 +114,7 @@ <h1>Source code for qsprpred.data.sources.papyrus.papyrus_filter</h1><div class=
 
 
 <div class="viewcode-block" id="papyrus_filter"><a class="viewcode-back" href="../../../../../api/qsprpred.data.sources.papyrus.html#qsprpred.data.sources.papyrus.papyrus_filter.papyrus_filter">[docs]</a><span class="k">def</span> <span class="nf">papyrus_filter</span><span class="p">(</span>
+    <span class="n">version</span><span class="p">:</span> <span class="nb">str</span><span class="p">,</span>
     <span class="n">acc_key</span><span class="p">:</span> <span class="nb">list</span><span class="p">[</span><span class="nb">str</span><span class="p">],</span>
     <span class="n">quality</span><span class="p">:</span> <span class="nb">str</span><span class="p">,</span>
     <span class="n">outdir</span><span class="p">:</span> <span class="nb">str</span><span class="p">,</span>
@@ -130,6 +131,7 @@ <h1>Source code for qsprpred.data.sources.papyrus.papyrus_filter</h1><div class=
 <span class="sd">    and outputs a .tsv file of all compounds fulfilling these requirements.</span>
 
 <span class="sd">    Args:</span>
+<span class="sd">        version (str): Papyrus database version</span>
 <span class="sd">        acc_key (list): list of UniProt accession keys</span>
 <span class="sd">        quality (str): str with minimum quality of dataset to keep</span>
 <span class="sd">        outdir (str): path to the location of Papyrus data</span>
@@ -158,7 +160,7 @@ <h1>Source code for qsprpred.data.sources.papyrus.papyrus_filter</h1><div class=
     <span class="c1"># read data</span>
     <span class="n">logger</span><span class="o">.</span><span class="n">info</span><span class="p">(</span><span class="sa">f</span><span class="s2">&quot;Reading data from </span><span class="si">{</span><span class="n">papyrus_dir</span><span class="si">}</span><span class="s2">...&quot;</span><span class="p">)</span>
     <span class="n">sample_data</span> <span class="o">=</span> <span class="n">read_papyrus</span><span class="p">(</span>
-        <span class="n">is3d</span><span class="o">=</span><span class="n">stereo</span><span class="p">,</span> <span class="n">chunksize</span><span class="o">=</span><span class="n">chunk_size</span><span class="p">,</span> <span class="n">source_path</span><span class="o">=</span><span class="n">papyrus_dir</span><span class="p">,</span> <span class="n">plusplus</span><span class="o">=</span><span class="n">plusplus</span>
+        <span class="n">is3d</span><span class="o">=</span><span class="n">stereo</span><span class="p">,</span> <span class="n">version</span><span class="o">=</span><span class="n">version</span><span class="p">,</span> <span class="n">chunksize</span><span class="o">=</span><span class="n">chunk_size</span><span class="p">,</span> <span class="n">source_path</span><span class="o">=</span><span class="n">papyrus_dir</span><span class="p">,</span> <span class="n">plusplus</span><span class="o">=</span><span class="n">plusplus</span>
     <span class="p">)</span>
     <span class="n">logger</span><span class="o">.</span><span class="n">info</span><span class="p">(</span><span class="s2">&quot;Read all data.&quot;</span><span class="p">)</span>
 
diff --git a/docs/_modules/qsprpred/data/tables/base.html b/docs/_modules/qsprpred/data/tables/base.html
index 9722f5c0..a46cfae5 100644
--- a/docs/_modules/qsprpred/data/tables/base.html
+++ b/docs/_modules/qsprpred/data/tables/base.html
@@ -3,7 +3,7 @@
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-  <title>qsprpred.data.tables.base &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.tables.base &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
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-        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=4825356b"></script>
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@@ -53,7 +53,7 @@
             QSPRpred
           </a>
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-                v3.2.0
+                v3.2.1
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diff --git a/docs/_modules/qsprpred/data/tables/mol.html b/docs/_modules/qsprpred/data/tables/mol.html
index 149ec0a8..ef6b5e43 100644
--- a/docs/_modules/qsprpred/data/tables/mol.html
+++ b/docs/_modules/qsprpred/data/tables/mol.html
@@ -3,7 +3,7 @@
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   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.tables.mol &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.tables.mol &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
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-        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=c96f8916"></script>
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@@ -53,7 +53,7 @@
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-                v3.2.0
+                v3.2.1
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diff --git a/docs/_modules/qsprpred/data/tables/pandas.html b/docs/_modules/qsprpred/data/tables/pandas.html
index 63bb6a3d..01e30efe 100644
--- a/docs/_modules/qsprpred/data/tables/pandas.html
+++ b/docs/_modules/qsprpred/data/tables/pandas.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.tables.pandas &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.tables.pandas &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
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-        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=c96f8916"></script>
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         <script src="../../../../_static/sphinx_highlight.js?v=4825356b"></script>
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@@ -53,7 +53,7 @@
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-                v3.2.0
+                v3.2.1
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diff --git a/docs/_modules/qsprpred/data/tables/qspr.html b/docs/_modules/qsprpred/data/tables/qspr.html
index 2f67652f..a901321d 100644
--- a/docs/_modules/qsprpred/data/tables/qspr.html
+++ b/docs/_modules/qsprpred/data/tables/qspr.html
@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.tables.qspr &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.tables.qspr &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
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@@ -16,7 +16,7 @@
   
         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
         <script src="../../../../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../../../../_static/doctools.js?v=888ff710"></script>
         <script src="../../../../_static/sphinx_highlight.js?v=4825356b"></script>
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@@ -53,7 +53,7 @@
             QSPRpred
           </a>
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-                v3.2.0
+                v3.2.1
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diff --git a/docs/_modules/qsprpred/data/tables/searchable.html b/docs/_modules/qsprpred/data/tables/searchable.html
index 676ffd3b..47314337 100644
--- a/docs/_modules/qsprpred/data/tables/searchable.html
+++ b/docs/_modules/qsprpred/data/tables/searchable.html
@@ -3,7 +3,7 @@
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   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.tables.searchable &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.tables.searchable &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../../../../_static/pygments.css?v=fa44fd50" />
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         <script src="../../../../_static/jquery.js?v=5d32c60e"></script>
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-        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=c96f8916"></script>
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         <script src="../../../../_static/sphinx_highlight.js?v=4825356b"></script>
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             QSPRpred
           </a>
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-                v3.2.0
+                v3.2.1
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diff --git a/docs/_modules/qsprpred/data/tables/tests.html b/docs/_modules/qsprpred/data/tables/tests.html
index 4f7d982e..d5398ae0 100644
--- a/docs/_modules/qsprpred/data/tables/tests.html
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@@ -3,7 +3,7 @@
 <head>
   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.tables.tests &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.tables.tests &mdash; QSPRpred 3.2.1 documentation</title>
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-        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../../../" id="documentation_options" src="../../../../_static/documentation_options.js?v=c96f8916"></script>
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         <script src="../../../../_static/sphinx_highlight.js?v=4825356b"></script>
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@@ -53,7 +53,7 @@
             QSPRpred
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-                v3.2.0
+                v3.2.1
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diff --git a/docs/_modules/qsprpred/data_CLI.html b/docs/_modules/qsprpred/data_CLI.html
index 255870dc..8b8acac3 100644
--- a/docs/_modules/qsprpred/data_CLI.html
+++ b/docs/_modules/qsprpred/data_CLI.html
@@ -3,7 +3,7 @@
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   <meta charset="utf-8" />
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data_CLI &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data_CLI &mdash; QSPRpred 3.2.1 documentation</title>
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       <link rel="stylesheet" type="text/css" href="../../_static/css/theme.css?v=19f00094" />
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-        <script data-url_root="../../" id="documentation_options" src="../../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../../" id="documentation_options" src="../../_static/documentation_options.js?v=c96f8916"></script>
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-                v3.2.0
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index 5c045853..6f21e210 100644
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-  <title>qsprpred.extra.data.descriptors.fingerprints &mdash; QSPRpred 3.2.0 documentation</title>
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-  <title>qsprpred.extra.data.descriptors.sets &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.data.descriptors.sets &mdash; QSPRpred 3.2.1 documentation</title>
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@@ -1451,25 +1451,25 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.chem.tests.TestClusters.testClusterAdd_0_Random">
 <span class="sig-name descname"><span class="pre">testClusterAdd_0_Random</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.chem.tests.TestClusters.testClusterAdd_0_Random" title="Permalink to this definition"></a></dt>
-<dd><p>Test the adding and getting of clusters [with _=’Random’, cluster=&lt;qsprpred.data.chem.clustering.R…usters object at 0x7ff5c585abd0&gt;].</p>
+<dd><p>Test the adding and getting of clusters [with _=’Random’, cluster=&lt;qsprpred.data.chem.clustering.R…usters object at 0x7effffa06c90&gt;].</p>
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 <dl class="py method">
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-<dd><p>Test the adding and getting of clusters [with _=’FPSimilarityMaxMin’, cluster=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7ff5c585ac60&gt;].</p>
+<dd><p>Test the adding and getting of clusters [with _=’FPSimilarityMaxMin’, cluster=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7effffa06de0&gt;].</p>
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 <dl class="py method">
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-<dd><p>Test the adding and getting of clusters [with _=’FPSimilarityLeaderPicker’, cluster=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7ff5c596b560&gt;].</p>
+<dd><p>Test the adding and getting of clusters [with _=’FPSimilarityLeaderPicker’, cluster=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7effffa06d80&gt;].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.chem.tests.TestClusters.testClusterAdd_3_Scaffold">
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-<dd><p>Test the adding and getting of clusters [with _=’Scaffold’, cluster=&lt;qsprpred.data.chem.clustering.S…usters object at 0x7ff5c585aae0&gt;].</p>
+<dd><p>Test the adding and getting of clusters [with _=’Scaffold’, cluster=&lt;qsprpred.data.chem.clustering.S…usters object at 0x7effffa06db0&gt;].</p>
 </dd></dl>
 
 <dl class="py method">
@@ -2230,31 +2230,31 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_0_Murcko">
 <span class="sig-name descname"><span class="pre">testScaffoldAdd_0_Murcko</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_0_Murcko" title="Permalink to this definition"></a></dt>
-<dd><p>Test the adding and getting of scaffolds [with _=’Murcko’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…oRDKit object at 0x7ff5c5858620&gt;].</p>
+<dd><p>Test the adding and getting of scaffolds [with _=’Murcko’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…oRDKit object at 0x7effffa04920&gt;].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_1_BemisMurcko">
 <span class="sig-name descname"><span class="pre">testScaffoldAdd_1_BemisMurcko</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_1_BemisMurcko" title="Permalink to this definition"></a></dt>
-<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurcko’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7ff5c5858710&gt;].</p>
+<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurcko’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7effffa04770&gt;].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_2_BemisMurckoCSK">
 <span class="sig-name descname"><span class="pre">testScaffoldAdd_2_BemisMurckoCSK</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_2_BemisMurckoCSK" title="Permalink to this definition"></a></dt>
-<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurckoCSK’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7ff5c5858ce0&gt;].</p>
+<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurckoCSK’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7effffa04980&gt;].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_3_BemisMurckoJustCSK">
 <span class="sig-name descname"><span class="pre">testScaffoldAdd_3_BemisMurckoJustCSK</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_3_BemisMurckoJustCSK" title="Permalink to this definition"></a></dt>
-<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurckoJustCSK’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7ff5c5859520&gt;].</p>
+<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurckoJustCSK’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7effffa04ad0&gt;].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_4_BemisMurckoOff">
 <span class="sig-name descname"><span class="pre">testScaffoldAdd_4_BemisMurckoOff</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.chem.tests.TestScaffolds.testScaffoldAdd_4_BemisMurckoOff" title="Permalink to this definition"></a></dt>
-<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurckoOff’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7ff5c5859730&gt;].</p>
+<dd><p>Test the adding and getting of scaffolds [with _=’BemisMurckoOff’, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7effffa05640&gt;].</p>
 </dd></dl>
 
 <dl class="py method">
diff --git a/docs/api/qsprpred.data.descriptors.html b/docs/api/qsprpred.data.descriptors.html
index 26063145..fdb355f8 100644
--- a/docs/api/qsprpred.data.descriptors.html
+++ b/docs/api/qsprpred.data.descriptors.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.descriptors package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.descriptors package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
@@ -5655,7 +5655,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_00_RDkit_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_00_RDkit_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_00_RDkit_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’RDkit_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….tDescs object at 0x7ff5c273b9e0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’RDkit_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….tDescs object at 0x7efffe1cba10&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5666,7 +5666,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_01_DrugExPhyschem_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_01_DrugExPhyschem_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_01_DrugExPhyschem_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’DrugExPhyschem_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….yschem object at 0x7ff5c273b950&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’DrugExPhyschem_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….yschem object at 0x7efffe1cbad0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5677,7 +5677,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_02_PredictorDesc_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_02_PredictorDesc_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_02_PredictorDesc_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’PredictorDesc_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….orDesc object at 0x7ff5c5c3f080&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’PredictorDesc_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….orDesc object at 0x7efffe205f70&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5688,7 +5688,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_03_TanimotoDistances_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_03_TanimotoDistances_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_03_TanimotoDistances_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’TanimotoDistances_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….tances object at 0x7ff5c28d0bc0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’TanimotoDistances_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.sets….tances object at 0x7efffe23df10&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5699,7 +5699,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_04_AtomPairFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_04_AtomPairFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_04_AtomPairFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’AtomPairFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…PairFP object at 0x7ff5c32cb5c0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’AtomPairFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…PairFP object at 0x7efffe23fb00&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5710,7 +5710,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_05_AvalonFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_05_AvalonFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_05_AvalonFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’AvalonFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…alonFP object at 0x7ff5c28d19a0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’AvalonFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…alonFP object at 0x7efffe23fec0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5721,7 +5721,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_06_LayeredFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_06_LayeredFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_06_LayeredFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’LayeredFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…eredFP object at 0x7ff5c28d06b0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’LayeredFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…eredFP object at 0x7efffe23faa0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5732,7 +5732,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_07_MACCSFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_07_MACCSFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_07_MACCSFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’MACCSFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…accsFP object at 0x7ff5c28d3b30&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’MACCSFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…accsFP object at 0x7efffe23f440&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5743,7 +5743,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_08_MorganFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_08_MorganFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_08_MorganFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’MorganFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…rganFP object at 0x7ff5c3285910&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’MorganFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…rganFP object at 0x7f0044bc9370&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5754,7 +5754,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_09_PatternFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_09_PatternFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_09_PatternFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’PatternFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…ternFP object at 0x7ff5c28d06e0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’PatternFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…ternFP object at 0x7efffe289d90&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5765,7 +5765,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_10_RDKitFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_10_RDKitFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_10_RDKitFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’RDKitFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…DKitFP object at 0x7ff5c28d1070&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’RDKitFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…DKitFP object at 0x7efffe288dd0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5776,7 +5776,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_11_RDKitMACCSFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_11_RDKitMACCSFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_11_RDKitMACCSFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’RDKitMACCSFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…ACCSFP object at 0x7ff5c28d1280&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’RDKitMACCSFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…ACCSFP object at 0x7efffe28b770&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
@@ -5787,7 +5787,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_12_TopologicalFP_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsAll_12_TopologicalFP_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.descriptors.tests.TestDescriptorsAll.testDescriptorsAll_12_TopologicalFP_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets [with _=’TopologicalFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…icalFP object at 0x7ff5c28d1190&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets [with _=’TopologicalFP_REGRESSION’, desc_set=&lt;qsprpred.data.descriptors.finge…icalFP object at 0x7efffe28a2a0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings and all possible
 preparations, but only with the default settings provided by
 <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getDefaultPrep"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getDefaultPrep()</span></code></a>. The list itself is defined and configured by
diff --git a/docs/api/qsprpred.data.html b/docs/api/qsprpred.data.html
index 7f7ba366..cad78ea8 100644
--- a/docs/api/qsprpred.data.html
+++ b/docs/api/qsprpred.data.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.data.processing.html b/docs/api/qsprpred.data.processing.html
index 4a883f46..717d0a6b 100644
--- a/docs/api/qsprpred.data.processing.html
+++ b/docs/api/qsprpred.data.processing.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.processing package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.processing package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.data.sampling.html b/docs/api/qsprpred.data.sampling.html
index 54ecc41b..637d7552 100644
--- a/docs/api/qsprpred.data.sampling.html
+++ b/docs/api/qsprpred.data.sampling.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.sampling package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.sampling package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
@@ -1653,25 +1653,25 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_0">
 <span class="sig-name descname"><span class="pre">testClusterSplit_0</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_0" title="Permalink to this definition"></a></dt>
-<dd><p>Test the cluster split function [with multitask=False, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7ff5c1aa3530&gt;, custom_test_list=None].</p>
+<dd><p>Test the cluster split function [with multitask=False, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7efffb2fef60&gt;, custom_test_list=None].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_1">
 <span class="sig-name descname"><span class="pre">testClusterSplit_1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_1" title="Permalink to this definition"></a></dt>
-<dd><p>Test the cluster split function [with multitask=False, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7ff5c1aa3350&gt;, custom_test_list=[‘ClusterSplit_000’, ‘ClusterSplit_001’]].</p>
+<dd><p>Test the cluster split function [with multitask=False, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7efffb2fea20&gt;, custom_test_list=[‘ClusterSplit_000’, ‘ClusterSplit_001’]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_2">
 <span class="sig-name descname"><span class="pre">testClusterSplit_2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_2" title="Permalink to this definition"></a></dt>
-<dd><p>Test the cluster split function [with multitask=True, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7ff5c1aa0110&gt;, custom_test_list=None].</p>
+<dd><p>Test the cluster split function [with multitask=True, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7efffb2ff050&gt;, custom_test_list=None].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_3">
 <span class="sig-name descname"><span class="pre">testClusterSplit_3</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.sampling.tests.TestDataSplitters.testClusterSplit_3" title="Permalink to this definition"></a></dt>
-<dd><p>Test the cluster split function [with multitask=True, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7ff5c1aa3410&gt;, custom_test_list=[‘ClusterSplit_000’, ‘ClusterSplit_001’]].</p>
+<dd><p>Test the cluster split function [with multitask=True, clustering_algorithm=&lt;qsprpred.data.chem.clustering.F…usters object at 0x7efffb2fc890&gt;, custom_test_list=[‘ClusterSplit_000’, ‘ClusterSplit_001’]].</p>
 </dd></dl>
 
 <dl class="py method">
@@ -1705,19 +1705,19 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.sampling.tests.TestDataSplitters.testScaffoldSplit_0">
 <span class="sig-name descname"><span class="pre">testScaffoldSplit_0</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.sampling.tests.TestDataSplitters.testScaffoldSplit_0" title="Permalink to this definition"></a></dt>
-<dd><p>Test the scaffold split function [with multitask=False, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…oRDKit object at 0x7ff5c1aa27b0&gt;, custom_test_list=None].</p>
+<dd><p>Test the scaffold split function [with multitask=False, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…oRDKit object at 0x7efffb2fe8a0&gt;, custom_test_list=None].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.sampling.tests.TestDataSplitters.testScaffoldSplit_1">
 <span class="sig-name descname"><span class="pre">testScaffoldSplit_1</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.sampling.tests.TestDataSplitters.testScaffoldSplit_1" title="Permalink to this definition"></a></dt>
-<dd><p>Test the scaffold split function [with multitask=False, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7ff5c0b57350&gt;, custom_test_list=[‘ScaffoldSplit_000’, ‘ScaffoldSplit_001’]].</p>
+<dd><p>Test the scaffold split function [with multitask=False, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…Murcko object at 0x7efffb2fe930&gt;, custom_test_list=[‘ScaffoldSplit_000’, ‘ScaffoldSplit_001’]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.sampling.tests.TestDataSplitters.testScaffoldSplit_2">
 <span class="sig-name descname"><span class="pre">testScaffoldSplit_2</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.sampling.tests.TestDataSplitters.testScaffoldSplit_2" title="Permalink to this definition"></a></dt>
-<dd><p>Test the scaffold split function [with multitask=True, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…oRDKit object at 0x7ff5c1aa2c60&gt;, custom_test_list=None].</p>
+<dd><p>Test the scaffold split function [with multitask=True, scaffold=&lt;qsprpred.data.chem.scaffolds.Be…oRDKit object at 0x7efffb2fea50&gt;, custom_test_list=None].</p>
 </dd></dl>
 
 <dl class="py method">
diff --git a/docs/api/qsprpred.data.sources.html b/docs/api/qsprpred.data.sources.html
index 19bdec1a..95e8343e 100644
--- a/docs/api/qsprpred.data.sources.html
+++ b/docs/api/qsprpred.data.sources.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.sources package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.sources package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.data.sources.papyrus.html b/docs/api/qsprpred.data.sources.papyrus.html
index a5846707..8038201b 100644
--- a/docs/api/qsprpred.data.sources.papyrus.html
+++ b/docs/api/qsprpred.data.sources.papyrus.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.sources.papyrus package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.sources.papyrus package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
@@ -243,12 +243,13 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <p>Filter Papyrus data.</p>
 <dl class="py function">
 <dt class="sig sig-object py" id="qsprpred.data.sources.papyrus.papyrus_filter.papyrus_filter">
-<span class="sig-prename descclassname"><span class="pre">qsprpred.data.sources.papyrus.papyrus_filter.</span></span><span class="sig-name descname"><span class="pre">papyrus_filter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">acc_key</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#list" title="(in Python v3.9)"><span class="pre">list</span></a><span class="p"><span class="pre">[</span></span><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">quality</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">outdir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">activity_types</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#list" title="(in Python v3.9)"><span class="pre">list</span></a><span class="p"><span class="pre">[</span></span><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'all'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">prefix</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><a class="reference external" href="https://docs.python.org/3.9/library/constants.html#None" title="(in Python v3.9)"><span class="pre">None</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">drop_duplicates</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">chunk_size</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#int" title="(in Python v3.9)"><span class="pre">int</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100000.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_existing</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">stereo</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plusplus</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">papyrus_dir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><a class="reference external" href="https://docs.python.org/3.9/library/constants.html#None" title="(in Python v3.9)"><span class="pre">None</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/qsprpred/data/sources/papyrus/papyrus_filter.html#papyrus_filter"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#qsprpred.data.sources.papyrus.papyrus_filter.papyrus_filter" title="Permalink to this definition"></a></dt>
+<span class="sig-prename descclassname"><span class="pre">qsprpred.data.sources.papyrus.papyrus_filter.</span></span><span class="sig-name descname"><span class="pre">papyrus_filter</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="n"><span class="pre">version</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">acc_key</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#list" title="(in Python v3.9)"><span class="pre">list</span></a><span class="p"><span class="pre">[</span></span><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="p"><span class="pre">]</span></span></span></em>, <em class="sig-param"><span class="n"><span class="pre">quality</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">outdir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a></span></em>, <em class="sig-param"><span class="n"><span class="pre">activity_types</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#list" title="(in Python v3.9)"><span class="pre">list</span></a><span class="p"><span class="pre">[</span></span><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="p"><span class="pre">]</span></span><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">'all'</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">prefix</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><a class="reference external" href="https://docs.python.org/3.9/library/constants.html#None" title="(in Python v3.9)"><span class="pre">None</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">drop_duplicates</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">chunk_size</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#int" title="(in Python v3.9)"><span class="pre">int</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">100000.0</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">use_existing</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">True</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">stereo</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">plusplus</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/functions.html#bool" title="(in Python v3.9)"><span class="pre">bool</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">False</span></span></em>, <em class="sig-param"><span class="n"><span class="pre">papyrus_dir</span></span><span class="p"><span class="pre">:</span></span><span class="w"> </span><span class="n"><a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><span class="pre">str</span></a><span class="w"> </span><span class="p"><span class="pre">|</span></span><span class="w"> </span><a class="reference external" href="https://docs.python.org/3.9/library/constants.html#None" title="(in Python v3.9)"><span class="pre">None</span></a></span><span class="w"> </span><span class="o"><span class="pre">=</span></span><span class="w"> </span><span class="default_value"><span class="pre">None</span></span></em><span class="sig-paren">)</span><a class="reference internal" href="../_modules/qsprpred/data/sources/papyrus/papyrus_filter.html#papyrus_filter"><span class="viewcode-link"><span class="pre">[source]</span></span></a><a class="headerlink" href="#qsprpred.data.sources.papyrus.papyrus_filter.papyrus_filter" title="Permalink to this definition"></a></dt>
 <dd><p>Filters the downloaded Papyrus dataset for quality and accession key (UniProt)
 and outputs a .tsv file of all compounds fulfilling these requirements.</p>
 <dl class="field-list simple">
 <dt class="field-odd">Parameters<span class="colon">:</span></dt>
 <dd class="field-odd"><ul class="simple">
+<li><p><strong>version</strong> (<a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – Papyrus database version</p></li>
 <li><p><strong>acc_key</strong> (<a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#list" title="(in Python v3.9)"><em>list</em></a>) – list of UniProt accession keys</p></li>
 <li><p><strong>quality</strong> (<a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – str with minimum quality of dataset to keep</p></li>
 <li><p><strong>outdir</strong> (<a class="reference external" href="https://docs.python.org/3.9/library/stdtypes.html#str" title="(in Python v3.9)"><em>str</em></a>) – path to the location of Papyrus data</p></li>
diff --git a/docs/api/qsprpred.data.tables.html b/docs/api/qsprpred.data.tables.html
index bd55680f..1dc04d8e 100644
--- a/docs/api/qsprpred.data.tables.html
+++ b/docs/api/qsprpred.data.tables.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.data.tables package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.data.tables package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
@@ -6734,7 +6734,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_00_MorganFP_None_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_00_MorganFP_None_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_00_MorganFP_None_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_None_None’, name=’MorganFP_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66f530&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_None_None’, name=’MorganFP_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec5f70&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6743,7 +6743,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_01_MorganFP_None_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_01_MorganFP_None_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_01_MorganFP_None_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_None_TopKatApplicabilityDomain’, name=’MorganFP_None_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66f320&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66f680&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_None_TopKatApplicabilityDomain’, name=’MorganFP_None_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec5c40&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7ec5eb0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6752,7 +6752,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_02_MorganFP_None_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_02_MorganFP_None_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_02_MorganFP_None_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_RepeatsFilter_None’, name=’MorganFP_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5bebf3c80&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66fa40&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_RepeatsFilter_None’, name=’MorganFP_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec5f40&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7ec5b80&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6761,7 +6761,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_03_MorganFP_None_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_03_MorganFP_None_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_03_MorganFP_None_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_Repeats…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_None_None_Repeats…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5c0153b00&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5bf6962a0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66f4a0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_None_Repeats…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_None_None_Repeats…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec6b10&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7ec5df0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7ec6210&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6770,7 +6770,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_04_MorganFP_None_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_04_MorganFP_None_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_04_MorganFP_None_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelationFilter_None_None’, name=’MorganFP_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66f350&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66f2f0&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelationFilter_None_None’, name=’MorganFP_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec5ee0&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7ec6060&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6779,7 +6779,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_05_MorganFP_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_05_MorganFP_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_05_MorganFP_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelat…_None_TopKatApplicabilityDomain’, name=’MorganFP_None_None_HighCorrelat…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5bedb0710&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5bf0080b0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66f290&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelat…_None_TopKatApplicabilityDomain’, name=’MorganFP_None_None_HighCorrelat…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff9335070&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7ec5fd0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7ec5250&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6788,7 +6788,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_06_MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_06_MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_06_MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_None’, name=’MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66e690&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66f200&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66f230&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_None’, name=’MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec4920&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7ec48c0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7ec4560&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6797,7 +6797,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_07_MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_07_MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_07_MorganFP_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelat…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_None_HighCorrelat…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66f110&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66ede0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66f050&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66eff0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_None_HighCorrelat…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_None_HighCorrelat…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec4800&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7ec47d0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7ec4770&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7ec4710&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6806,7 +6806,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_08_MorganFP_None_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_08_MorganFP_None_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_08_MorganFP_None_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_None_None_None’, name=’MorganFP_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66ef60&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_None_None_None’, name=’MorganFP_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec4680&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6815,7 +6815,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_09_MorganFP_None_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_09_MorganFP_None_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_09_MorganFP_None_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_No…_None_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_No…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5bea311f0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66eed0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_No…_None_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_No…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ec45f0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff83d5490&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6824,7 +6824,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_10_MorganFP_None_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_10_MorganFP_None_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_10_MorganFP_None_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_None_RepeatsFilter_None’, name=’MorganFP_None_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66ee40&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66e4e0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_None_RepeatsFilter_None’, name=’MorganFP_None_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7bc20&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e7be90&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6833,7 +6833,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_11_MorganFP_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_11_MorganFP_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_11_MorganFP_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_No…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_No…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66e4b0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66e3f0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66cdd0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_No…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_No…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7a540&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e7b740&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7e7bb60&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6842,7 +6842,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_12_MorganFP_None_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_12_MorganFP_None_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_12_MorganFP_None_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_HighCorrelationFilter_None_None’, name=’MorganFP_None_StandardScaler_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66e300&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66e2d0&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_HighCorrelationFilter_None_None’, name=’MorganFP_None_StandardScaler_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7b7a0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7e7a840&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6851,7 +6851,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_13_MorganFP_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_13_MorganFP_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_13_MorganFP_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_Hi…_None_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_Hi…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66d190&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66d280&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66da90&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_Hi…_None_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_Hi…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7a3f0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7e7bb30&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7e7ae10&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6860,7 +6860,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_14_MorganFP_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_14_MorganFP_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_14_MorganFP_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_Hi…lationFilter_RepeatsFilter_None’, name=’MorganFP_None_StandardScaler_Hi…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66df10&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66e1e0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66e180&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_Hi…lationFilter_RepeatsFilter_None’, name=’MorganFP_None_StandardScaler_Hi…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7bad0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7e7ba40&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e7b9e0&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6869,7 +6869,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_15_MorganFP_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_15_MorganFP_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_15_MorganFP_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_Hi…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_Hi…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66e0f0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66e060&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66e000&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66c560&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_None_StandardScaler_Hi…ilter_TopKatApplicabilityDomain’, name=’MorganFP_None_StandardScaler_Hi…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7b950&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7e7b8c0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e7b800&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7e7aab0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6878,7 +6878,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_16_MorganFP_RandomSplit_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_16_MorganFP_RandomSplit_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_16_MorganFP_RandomSplit_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_None_None_None’, name=’MorganFP_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66dfa0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66d6d0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_None_None_None’, name=’MorganFP_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e795e0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e7a120&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6887,7 +6887,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_17_MorganFP_RandomSplit_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_17_MorganFP_RandomSplit_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_17_MorganFP_RandomSplit_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_None_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5c00410d0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66d670&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66d070&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_None_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7a210&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e796a0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7e79d30&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6896,7 +6896,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_18_MorganFP_RandomSplit_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_18_MorganFP_RandomSplit_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_18_MorganFP_RandomSplit_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_None_RepeatsFilter_None’, name=’MorganFP_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66d040&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66cfe0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66cfb0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_None_RepeatsFilter_None’, name=’MorganFP_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e79430&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e793d0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e79880&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6905,7 +6905,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_19_MorganFP_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_19_MorganFP_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_19_MorganFP_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id19"><span class="problematic" id="id20">MorganFP_RandomSplit_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id21"><span class="problematic" id="id22">MorganFP_RandomSplit_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66c440&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66c410&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66c500&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66c530&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id19"><span class="problematic" id="id20">MorganFP_RandomSplit_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id21"><span class="problematic" id="id22">MorganFP_RandomSplit_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7a750&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e7a810&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e7b020&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7e7b0e0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6914,7 +6914,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_20_MorganFP_RandomSplit_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_20_MorganFP_RandomSplit_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_20_MorganFP_RandomSplit_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighCorrelationFilter_None_None’, name=’MorganFP_RandomSplit_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66c6b0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66c710&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66c080&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighCorrelationFilter_None_None’, name=’MorganFP_RandomSplit_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e7b170&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e7b1d0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7e7a990&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6923,7 +6923,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_21_MorganFP_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_21_MorganFP_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_21_MorganFP_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighC…_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_None_HighC…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66c7d0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66c7a0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66c800&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be66c5f0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighC…_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_None_HighC…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7dde3f0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7dddfd0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7ddf080&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7dde870&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6932,7 +6932,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_22_MorganFP_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_22_MorganFP_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_22_MorganFP_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighC…lationFilter_RepeatsFilter_None’, name=’MorganFP_RandomSplit_None_HighC…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66c5c0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66fe60&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be66fec0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be66ff20&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighC…lationFilter_RepeatsFilter_None’, name=’MorganFP_RandomSplit_None_HighC…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ddea20&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7ddffb0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7dde4e0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7ddff80&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6941,7 +6941,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_23_MorganFP_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_23_MorganFP_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_23_MorganFP_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighC…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_None_HighC…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be66ffb0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be66ffe0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b4080&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b40e0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b4140&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_None_HighC…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_None_HighC…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ddd6d0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7ddd610&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7ddd640&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7ddcf20&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7ddcef0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6950,7 +6950,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_24_MorganFP_RandomSplit_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_24_MorganFP_RandomSplit_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_24_MorganFP_RandomSplit_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardScaler_None_None_None’, name=’MorganFP_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b41d0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b4200&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardScaler_None_None_None’, name=’MorganFP_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7ddd5b0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7ddd580&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6959,7 +6959,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_25_MorganFP_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_25_MorganFP_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_25_MorganFP_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b42f0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b4320&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b43e0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e32990&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e33ef0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7e30470&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6968,7 +6968,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_26_MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_26_MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_26_MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_None’, name=’MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b4470&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b44a0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b4560&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_None’, name=’MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e30350&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e30380&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e30050&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6977,7 +6977,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_27_MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_27_MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_27_MorganFP_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b45f0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b4620&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b46e0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b4740&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e30bf0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7e30c80&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7e305f0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7e31160&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6986,7 +6986,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_28_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_28_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_28_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…HighCorrelationFilter_None_None’, name=’MorganFP_RandomSplit_StandardSc…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b47d0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b4800&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b48c0&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…HighCorrelationFilter_None_None’, name=’MorganFP_RandomSplit_StandardSc…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7e30c20&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d083e0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d08320&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -6995,7 +6995,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_29_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_29_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_29_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b4950&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b4980&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b4a40&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b4aa0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7d08380&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d084d0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d08560&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d085c0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7004,7 +7004,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_30_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_30_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_30_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…lationFilter_RepeatsFilter_None’, name=’MorganFP_RandomSplit_StandardSc…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b4b30&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b4b60&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b4c20&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b4c80&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…lationFilter_RepeatsFilter_None’, name=’MorganFP_RandomSplit_StandardSc…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7d08650&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d08680&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d08740&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d087a0&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7013,7 +7013,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_31_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_31_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_31_MorganFP_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7ff5be6b4d10&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b4d40&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b4e00&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b4e60&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b4ec0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RandomSplit_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…anFP object at 0x7efff7d08830&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d08860&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d08920&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d08980&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d089e0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7022,7 +7022,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_32_RDKitDescs_None_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_32_RDKitDescs_None_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_32_RDKitDescs_None_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_None_None’, name=’RDKitDescs_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b4f50&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_None_None’, name=’RDKitDescs_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d08a70&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7031,7 +7031,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_33_RDKitDescs_None_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_33_RDKitDescs_None_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_33_RDKitDescs_None_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_None_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b4f80&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b4fb0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_None_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d08a10&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d08aa0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7040,7 +7040,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_34_RDKitDescs_None_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_34_RDKitDescs_None_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_34_RDKitDescs_None_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_RepeatsFilter_None’, name=’RDKitDescs_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5040&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b5070&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_RepeatsFilter_None’, name=’RDKitDescs_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d08b30&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d08b60&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7049,7 +7049,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_35_RDKitDescs_None_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_35_RDKitDescs_None_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_35_RDKitDescs_None_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_Repea…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_None_Repea…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5100&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b5130&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b5190&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_None_Repea…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_None_Repea…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d08bf0&gt;,), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d08c20&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d08c80&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7058,7 +7058,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_36_RDKitDescs_None_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_36_RDKitDescs_None_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_36_RDKitDescs_None_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrelationFilter_None_None’, name=’RDKitDescs_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5220&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b5250&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrelationFilter_None_None’, name=’RDKitDescs_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d08d10&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d08d40&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7067,7 +7067,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_37_RDKitDescs_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_37_RDKitDescs_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_37_RDKitDescs_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrel…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_HighCorrel…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b52e0&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b5310&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b5370&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrel…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_HighCorrel…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d08dd0&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d08e00&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d08e60&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7076,7 +7076,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_38_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_38_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_38_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None’, name=’RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5400&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b5430&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b5490&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None’, name=’RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d08ef0&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d08f20&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d08f80&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7085,7 +7085,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_39_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_39_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_39_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrel…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_HighCorrel…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5520&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b5550&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b55b0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b5610&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_None_HighCorrel…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_None_None_HighCorrel…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09010&gt;,), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d09040&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d090a0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d09100&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7094,7 +7094,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_40_RDKitDescs_None_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_40_RDKitDescs_None_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_40_RDKitDescs_None_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_StandardScaler_None_None_None’, name=’RDKitDescs_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b56a0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_StandardScaler_None_None_None’, name=’RDKitDescs_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09190&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7103,7 +7103,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_41_RDKitDescs_None_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_41_RDKitDescs_None_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_41_RDKitDescs_None_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id23"><span class="problematic" id="id24">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, name=’<a href="#id25"><span class="problematic" id="id26">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5760&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b57f0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id23"><span class="problematic" id="id24">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, name=’<a href="#id25"><span class="problematic" id="id26">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09250&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d092e0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7112,7 +7112,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_42_RDKitDescs_None_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_42_RDKitDescs_None_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_42_RDKitDescs_None_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_StandardScaler_None_RepeatsFilter_None’, name=’RDKitDescs_None_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5880&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b5910&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_StandardScaler_None_RepeatsFilter_None’, name=’RDKitDescs_None_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09370&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d09400&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7121,7 +7121,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_43_RDKitDescs_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_43_RDKitDescs_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_43_RDKitDescs_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id27"><span class="problematic" id="id28">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id29"><span class="problematic" id="id30">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b59a0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b5a30&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b5a90&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id27"><span class="problematic" id="id28">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id29"><span class="problematic" id="id30">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09490&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d09520&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d09580&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7130,7 +7130,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_44_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_44_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_44_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None’, name=’RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5b20&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b5be0&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None’, name=’RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09610&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d096a0&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7139,7 +7139,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_45_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_45_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_45_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id31"><span class="problematic" id="id32">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, name=’<a href="#id33"><span class="problematic" id="id34">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5c70&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b5d30&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b5d90&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id31"><span class="problematic" id="id32">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, name=’<a href="#id33"><span class="problematic" id="id34">RDKitDescs_None_StandardScaler_</span></a>…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09730&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d097f0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d09850&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7148,7 +7148,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_46_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_46_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_46_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id35"><span class="problematic" id="id36">RDKitDescs_None_StandardScaler_</span></a>…lationFilter_RepeatsFilter_None’, name=’<a href="#id37"><span class="problematic" id="id38">RDKitDescs_None_StandardScaler_</span></a>…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5e20&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b5ee0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b5f40&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id35"><span class="problematic" id="id36">RDKitDescs_None_StandardScaler_</span></a>…lationFilter_RepeatsFilter_None’, name=’<a href="#id37"><span class="problematic" id="id38">RDKitDescs_None_StandardScaler_</span></a>…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d098e0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d099a0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d09a00&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7157,7 +7157,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_47_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_47_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_47_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id39"><span class="problematic" id="id40">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id41"><span class="problematic" id="id42">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b5fd0&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b6090&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b60f0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b6150&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’<a href="#id39"><span class="problematic" id="id40">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id41"><span class="problematic" id="id42">RDKitDescs_None_StandardScaler_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09a90&gt;,), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d09b50&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d09bb0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d09c10&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7166,7 +7166,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_48_RDKitDescs_RandomSplit_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_48_RDKitDescs_RandomSplit_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_48_RDKitDescs_RandomSplit_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_None_None_None’, name=’RDKitDescs_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b61e0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6210&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_None_None_None’, name=’RDKitDescs_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09ca0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d09cd0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7175,7 +7175,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_49_RDKitDescs_RandomSplit_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_49_RDKitDescs_RandomSplit_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_49_RDKitDescs_RandomSplit_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Non…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Non…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b62a0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b62d0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b6330&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Non…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Non…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09d60&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d09d90&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d09df0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7184,7 +7184,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_50_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_50_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_50_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b63c0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b63f0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b6450&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09e80&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d09eb0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d09f10&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7193,7 +7193,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_51_RDKitDescs_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_51_RDKitDescs_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_51_RDKitDescs_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Non…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Non…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b64e0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6510&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b6570&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b65d0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Non…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Non…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d09fa0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d09fd0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0a030&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0a090&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7202,7 +7202,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_52_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_52_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_52_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None’, name=’RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b6660&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6690&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b66f0&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None’, name=’RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0a120&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0a150&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0a1b0&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7211,7 +7211,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_53_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_53_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_53_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Hig…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Hig…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b6780&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b67b0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b6810&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b6870&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Hig…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Hig…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0a240&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0a270&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0a2d0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0a330&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7220,7 +7220,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_54_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_54_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_54_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Hig…lationFilter_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_None_Hig…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b6900&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6930&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b6990&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b69f0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Hig…lationFilter_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_None_Hig…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0a3c0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0a3f0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0a450&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0a4b0&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7229,7 +7229,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_55_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_55_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_55_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Hig…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Hig…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b6a80&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6ab0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b6b10&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b6b70&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b6bd0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_None_Hig…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_None_Hig…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0a540&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0a570&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0a5d0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0a630&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0a690&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7238,7 +7238,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_56_RDKitDescs_RandomSplit_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_56_RDKitDescs_RandomSplit_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_56_RDKitDescs_RandomSplit_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_StandardScaler_None_None_None’, name=’RDKitDescs_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b6c60&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6c90&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_StandardScaler_None_None_None’, name=’RDKitDescs_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0a720&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0a750&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7247,7 +7247,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_57_RDKitDescs_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_57_RDKitDescs_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_57_RDKitDescs_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b6db0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6de0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b6ed0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0a870&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0a8a0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0a990&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7256,7 +7256,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_58_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_58_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_58_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b6f60&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b6f90&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b7080&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0aa20&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0aa50&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0ab40&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7265,7 +7265,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_59_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_59_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_59_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b7110&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b7140&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b7230&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b7290&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0abd0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0ac00&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0acf0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0ad50&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7274,7 +7274,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_60_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_60_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_60_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…HighCorrelationFilter_None_None’, name=’RDKitDescs_RandomSplit_Standard…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b7320&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b7350&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b7440&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…HighCorrelationFilter_None_None’, name=’RDKitDescs_RandomSplit_Standard…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0ade0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0ae10&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0af00&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7283,7 +7283,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_61_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_61_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_61_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b74d0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b7500&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b75f0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b7650&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0af90&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0afc0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0b0b0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0b110&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7292,7 +7292,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_62_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_62_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_62_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…lationFilter_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_Standard…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b76e0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b7710&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b7800&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b7860&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…lationFilter_RepeatsFilter_None’, name=’RDKitDescs_RandomSplit_Standard…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0b1a0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0b1d0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0b2c0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0b320&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7301,7 +7301,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_63_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_63_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_63_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7ff5be6b78f0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be6b7920&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be6b7a10&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b7a70&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b7ad0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, name=’RDKitDescs_RandomSplit_Standard…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.sets…escs object at 0x7efff7d0b3b0&gt;,), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d0b3e0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0b4d0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0b530&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0b590&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7310,7 +7310,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_64_MorganFP_RDKitDescs_None_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_64_MorganFP_RDKitDescs_None_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_64_MorganFP_RDKitDescs_None_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_None_None_None’, name=’MorganFP_RDKitDescs_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be6b7bc0&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_None_None_None’, name=’MorganFP_RDKitDescs_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0b680&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7319,7 +7319,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_65_MorganFP_RDKitDescs_None_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_65_MorganFP_RDKitDescs_None_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_65_MorganFP_RDKitDescs_None_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_N…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_N…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be6b7c80&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b7cb0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_N…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_N…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0b740&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0b770&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7328,7 +7328,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_66_MorganFP_RDKitDescs_None_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_66_MorganFP_RDKitDescs_None_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_66_MorganFP_RDKitDescs_None_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be6b7da0&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b7dd0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0b860&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0b890&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7337,7 +7337,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_67_MorganFP_RDKitDescs_None_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_67_MorganFP_RDKitDescs_None_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_67_MorganFP_RDKitDescs_None_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_N…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_N…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be6b7ec0&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be6b7ef0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be6b7f50&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_N…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_N…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0b980&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0b9b0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0ba10&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7346,7 +7346,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_68_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_68_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_68_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f0080&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f00b0&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0bb00&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0bb30&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7355,7 +7355,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_69_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_69_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_69_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_H…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_H…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f01a0&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f01d0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f0230&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_H…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_H…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0bc50&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0bc80&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d0bce0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7364,7 +7364,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_70_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_70_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_70_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_H…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_None_H…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f0320&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f0350&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f03b0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_H…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_None_H…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0bdd0&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0be00&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0be60&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7373,7 +7373,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_71_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_71_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_71_MorganFP_RDKitDescs_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_H…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_H…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f04a0&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f04d0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f0530&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f0590&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_None_H…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_None_H…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d0bf50&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d0bf80&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d0bfe0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d64080&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7382,7 +7382,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_72_MorganFP_RDKitDescs_None_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_72_MorganFP_RDKitDescs_None_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_72_MorganFP_RDKitDescs_None_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_StandardScaler_None_None_None’, name=’MorganFP_RDKitDescs_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f0680&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_StandardScaler_None_None_None’, name=’MorganFP_RDKitDescs_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d64170&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7391,7 +7391,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_73_MorganFP_RDKitDescs_None_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_73_MorganFP_RDKitDescs_None_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_73_MorganFP_RDKitDescs_None_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f07d0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f0890&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d642c0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d64380&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7400,7 +7400,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_74_MorganFP_RDKitDescs_None_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_74_MorganFP_RDKitDescs_None_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_74_MorganFP_RDKitDescs_None_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…dScaler_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_Standa…dScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f0980&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f0a40&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…dScaler_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_Standa…dScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d64470&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d64530&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7409,7 +7409,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_75_MorganFP_RDKitDescs_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_75_MorganFP_RDKitDescs_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_75_MorganFP_RDKitDescs_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f0b30&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f0bf0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f0c50&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d64620&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d646e0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d64740&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7418,7 +7418,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_76_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_76_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_76_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_None_Standa…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f0d40&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f0e00&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_None_Standa…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d64830&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d648f0&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7427,7 +7427,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_77_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_77_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_77_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f0ef0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f0fb0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f1010&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d649e0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d64aa0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d64b00&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7436,7 +7436,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_78_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_78_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_78_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_Standa…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f1100&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f11c0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f1220&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_None_Standa…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d64bf0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d64ce0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d64d40&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7445,7 +7445,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_79_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_79_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_79_MorganFP_RDKitDescs_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f1310&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f13d0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f1430&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f1490&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_None_Standa…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d64e30&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d64ef0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d64f50&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d64fb0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7454,7 +7454,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_80_MorganFP_RDKitDescs_RandomSplit_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_80_MorganFP_RDKitDescs_RandomSplit_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_80_MorganFP_RDKitDescs_RandomSplit_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit_None_None_None_None’, name=’MorganFP_RDKitDescs_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f1580&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f15b0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit_None_None_None_None’, name=’MorganFP_RDKitDescs_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d650a0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d650d0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7463,7 +7463,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_81_MorganFP_RDKitDescs_RandomSplit_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_81_MorganFP_RDKitDescs_RandomSplit_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_81_MorganFP_RDKitDescs_RandomSplit_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f16a0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f16d0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f1730&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d651c0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d651f0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d65250&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7472,7 +7472,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_82_MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_82_MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_82_MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f1820&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f1850&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f18b0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d65340&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d65370&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d653d0&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7481,7 +7481,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_83_MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_83_MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_83_MorganFP_RDKitDescs_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f19a0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f19d0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f1a30&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f1a90&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d654c0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d654f0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d65550&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d655b0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7490,7 +7490,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_84_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_84_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_84_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f1b80&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f1bb0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f1c10&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d656a0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d656d0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d65730&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7499,7 +7499,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_85_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_85_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_85_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f1d00&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f1d30&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f1d90&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f1df0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d65820&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d65850&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d658b0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d65910&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7508,7 +7508,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_86_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_86_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_86_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f1ee0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f1f10&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f1f70&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f1fd0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d65a00&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d65a30&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d65a90&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d65af0&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7517,7 +7517,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_87_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_87_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_87_MorganFP_RDKitDescs_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f20c0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f20f0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f2150&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f21b0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f2210&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d65be0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d65c10&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d65c70&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d65cd0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d65d30&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7526,7 +7526,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_88_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_88_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_88_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_None’, name=’MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f2300&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f2330&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_None’, name=’MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d65e20&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d65e50&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7535,7 +7535,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_89_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_89_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_89_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f24b0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f24e0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f25d0&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d65fd0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d66000&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d660f0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7544,7 +7544,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_90_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_90_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_90_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…dScaler_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit…dScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f26c0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f26f0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f27e0&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…dScaler_None_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit…dScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d661e0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d66210&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d66300&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7553,7 +7553,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_91_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_91_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_91_MorganFP_RDKitDescs_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f28d0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f2900&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f29f0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f2a50&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d663f0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d66420&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d66510&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d66570&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7562,7 +7562,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_92_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_92_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_92_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f2b40&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f2b70&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f2c90&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, name=’MorganFP_RDKitDescs_RandomSplit…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d66660&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d66690&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d66780&gt;, data_filter=None, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7571,7 +7571,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_93_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_93_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_93_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f2d80&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f2db0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f2ea0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f2f00&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d66870&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d668a0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d66990&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d669f0&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7580,7 +7580,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_94_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombos_94_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_94_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f2ff0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f3020&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f3110&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f3170&gt;, applicability_domain=None].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, name=’MorganFP_RDKitDescs_RandomSplit…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d66ae0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d66b10&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d66c00&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d66c60&gt;, applicability_domain=None].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
@@ -7589,7 +7589,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_95_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombos_95_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.data.tables.tests.TestDataSetPreparation.testPrepCombos_95_MorganFP_RDKitDescs_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7ff5be4f3260&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5be4f3290&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5be4f3380&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5be4f33e0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5be4f3440&gt;].</p>
+<dd><p>Tests one combination of a data set and its preparation settings [with _=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, name=’MorganFP_RDKitDescs_RandomSplit…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…Descs object at 0x7efff7d66d50&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff7d66d80&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff7d66e70&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff7d66ed0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff7d66f30&gt;].</p>
 <p>This generates a large number of parameterized tests. Use the <code class="docutils literal notranslate"><span class="pre">skip</span></code> decorator
 if you want to skip all these tests. Note that the combinations are not
 exhaustive, but defined by <a class="reference internal" href="qsprpred.utils.testing.html#qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos" title="qsprpred.utils.testing.path_mixins.DataSetsPathMixIn.getPrepCombos"><code class="xref any py py-meth docutils literal notranslate"><span class="pre">DataSetsPathMixIn.getPrepCombos()</span></code></a>.</p>
diff --git a/docs/api/qsprpred.extra.data.descriptors.html b/docs/api/qsprpred.extra.data.descriptors.html
index f8006a0e..b7083cd9 100644
--- a/docs/api/qsprpred.extra.data.descriptors.html
+++ b/docs/api/qsprpred.extra.data.descriptors.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.data.descriptors package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.data.descriptors package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
@@ -4751,91 +4751,91 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_00_Mordred">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_00_Mordred</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_00_Mordred" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’Mordred’, desc_set=&lt;qsprpred.extra.data.descriptors…ordred object at 0x7ff5bbde9c70&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’Mordred’, desc_set=&lt;qsprpred.extra.data.descriptors…ordred object at 0x7efff578c770&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_01_CDKFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_01_CDKFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_01_CDKFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKFP’, desc_set=&lt;qsprpred.extra.data.descriptors….CDKFP object at 0x7ff5bc1fd6a0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKFP’, desc_set=&lt;qsprpred.extra.data.descriptors….CDKFP object at 0x7efff5b2f560&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_02_CDKExtendedFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_02_CDKExtendedFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_02_CDKExtendedFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKExtendedFP’, desc_set=&lt;qsprpred.extra.data.descriptors…ndedFP object at 0x7ff5bc7944a0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKExtendedFP’, desc_set=&lt;qsprpred.extra.data.descriptors…ndedFP object at 0x7efff6b6be60&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_03_CDKEStateFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_03_CDKEStateFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_03_CDKEStateFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKEStateFP’, desc_set=&lt;qsprpred.extra.data.descriptors…tateFP object at 0x7ff5bc478e00&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKEStateFP’, desc_set=&lt;qsprpred.extra.data.descriptors…tateFP object at 0x7efff6166090&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_04_CDKGraphOnlyFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_04_CDKGraphOnlyFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_04_CDKGraphOnlyFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKGraphOnlyFP’, desc_set=&lt;qsprpred.extra.data.descriptors…OnlyFP object at 0x7ff5bd494350&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKGraphOnlyFP’, desc_set=&lt;qsprpred.extra.data.descriptors…OnlyFP object at 0x7efff6af2420&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_05_CDKMACCSFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_05_CDKMACCSFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_05_CDKMACCSFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKMACCSFP’, desc_set=&lt;qsprpred.extra.data.descriptors…ACCSFP object at 0x7ff5bc76a240&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKMACCSFP’, desc_set=&lt;qsprpred.extra.data.descriptors…ACCSFP object at 0x7efff5d5f680&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_06_CDKPubchemFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_06_CDKPubchemFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_06_CDKPubchemFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKPubchemFP’, desc_set=&lt;qsprpred.extra.data.descriptors…chemFP object at 0x7ff5bc54e8d0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKPubchemFP’, desc_set=&lt;qsprpred.extra.data.descriptors…chemFP object at 0x7efff5882780&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_07_CDKSubstructureFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_07_CDKSubstructureFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_07_CDKSubstructureFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKSubstructureFP’, desc_set=&lt;qsprpred.extra.data.descriptors…tureFP object at 0x7ff5bc4462a0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKSubstructureFP’, desc_set=&lt;qsprpred.extra.data.descriptors…tureFP object at 0x7efff5c229c0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_08_CDKKlekotaRothFPCount">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_08_CDKKlekotaRothFPCount</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_08_CDKKlekotaRothFPCount" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKKlekotaRothFPCount’, desc_set=&lt;qsprpred.extra.data.descriptors…RothFP object at 0x7ff5bbe53bf0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKKlekotaRothFPCount’, desc_set=&lt;qsprpred.extra.data.descriptors…RothFP object at 0x7efff56c1af0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_09_CDKAtomPairs2DFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_09_CDKAtomPairs2DFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_09_CDKAtomPairs2DFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKAtomPairs2DFP’, desc_set=&lt;qsprpred.extra.data.descriptors…rs2DFP object at 0x7ff5bbe53aa0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKAtomPairs2DFP’, desc_set=&lt;qsprpred.extra.data.descriptors…rs2DFP object at 0x7efff56c2690&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_10_CDKSubstructureFPCount">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_10_CDKSubstructureFPCount</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_10_CDKSubstructureFPCount" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKSubstructureFPCount’, desc_set=&lt;qsprpred.extra.data.descriptors…tureFP object at 0x7ff5bbe53b00&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKSubstructureFPCount’, desc_set=&lt;qsprpred.extra.data.descriptors…tureFP object at 0x7efff56c16a0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_11_CDKKlekotaRothFP">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_11_CDKKlekotaRothFP</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_11_CDKKlekotaRothFP" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKKlekotaRothFP’, desc_set=&lt;qsprpred.extra.data.descriptors…RothFP object at 0x7ff5bbe53050&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKKlekotaRothFP’, desc_set=&lt;qsprpred.extra.data.descriptors…RothFP object at 0x7efff56c2510&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_12_CDKAtomPairs2DFPCount">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_12_CDKAtomPairs2DFPCount</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_12_CDKAtomPairs2DFPCount" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKAtomPairs2DFPCount’, desc_set=&lt;qsprpred.extra.data.descriptors…rs2DFP object at 0x7ff5bbe532f0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’CDKAtomPairs2DFPCount’, desc_set=&lt;qsprpred.extra.data.descriptors…rs2DFP object at 0x7efff56c1d00&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_13_PaDEL">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_13_PaDEL</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_13_PaDEL" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’PaDEL’, desc_set=&lt;qsprpred.extra.data.descriptors….PaDEL object at 0x7ff5bbe53410&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’PaDEL’, desc_set=&lt;qsprpred.extra.data.descriptors….PaDEL object at 0x7efff5504ce0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_14_ExtendedValenceSignature">
 <span class="sig-name descname"><span class="pre">testDescriptorsExtraAll_14_ExtendedValenceSignature</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsExtra.testDescriptorsExtraAll_14_ExtendedValenceSignature" title="Permalink to this definition"></a></dt>
-<dd><p>Test the calculation of extra descriptors with data preparation [with _=’ExtendedValenceSignature’, desc_set=&lt;qsprpred.extra.data.descriptors…nature object at 0x7ff5bbdeb9e0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Test the calculation of extra descriptors with data preparation [with _=’ExtendedValenceSignature’, desc_set=&lt;qsprpred.extra.data.descriptors…nature object at 0x7efff55576e0&gt;, target_props=[{‘name’: ‘CL’, ‘task’: &lt;TargetTasks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 </dd></dl>
 
 <dl class="py method">
@@ -5719,7 +5719,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_0_ProDec_Zscale_Hellberg_MULTICLASS">
 <span class="sig-name descname"><span class="pre">testDescriptorsPCMAll_0_ProDec_Zscale_Hellberg_MULTICLASS</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_0_ProDec_Zscale_Hellberg_MULTICLASS" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Zscale Hellberg_MULTICLASS’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7ff5bbdea3f0&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…&gt;, ‘th’: [2.0, 5.5, 6.5, 12.0]}]].</p>
+<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Zscale Hellberg_MULTICLASS’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7efff5557980&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…&gt;, ‘th’: [2.0, 5.5, 6.5, 12.0]}]].</p>
 <p>Note that they are not checked with all possible settings
 and all possible preparations,
 but only with the default settings provided
@@ -5732,7 +5732,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_1_ProDec_Sneath_MULTICLASS">
 <span class="sig-name descname"><span class="pre">testDescriptorsPCMAll_1_ProDec_Sneath_MULTICLASS</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_1_ProDec_Sneath_MULTICLASS" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Sneath_MULTICLASS’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7ff5bbdea900&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…&gt;, ‘th’: [2.0, 5.5, 6.5, 12.0]}]].</p>
+<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Sneath_MULTICLASS’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7efff5a043b0&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…&gt;, ‘th’: [2.0, 5.5, 6.5, 12.0]}]].</p>
 <p>Note that they are not checked with all possible settings
 and all possible preparations,
 but only with the default settings provided
@@ -5745,7 +5745,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_2_ProDec_Zscale_Hellberg_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsPCMAll_2_ProDec_Zscale_Hellberg_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_2_ProDec_Zscale_Hellberg_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Zscale Hellberg_REGRESSION’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7ff5bbcf33b0&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…asks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Zscale Hellberg_REGRESSION’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7efff567c950&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…asks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings
 and all possible preparations,
 but only with the default settings provided
@@ -5758,7 +5758,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_3_ProDec_Sneath_REGRESSION">
 <span class="sig-name descname"><span class="pre">testDescriptorsPCMAll_3_ProDec_Sneath_REGRESSION</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_3_ProDec_Sneath_REGRESSION" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Sneath_REGRESSION’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7ff5bbd903e0&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…asks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
+<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Sneath_REGRESSION’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7efff5443470&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…asks.REGRESSION: ‘REGRESSION’&gt;}]].</p>
 <p>Note that they are not checked with all possible settings
 and all possible preparations,
 but only with the default settings provided
@@ -5771,7 +5771,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_4_ProDec_Zscale_Hellberg_Multitask">
 <span class="sig-name descname"><span class="pre">testDescriptorsPCMAll_4_ProDec_Zscale_Hellberg_Multitask</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_4_ProDec_Zscale_Hellberg_Multitask" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Zscale Hellberg_Multitask’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7ff5bbc093d0&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…S: ‘SINGLECLASS’&gt;, ‘th’: [6.5]}]].</p>
+<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Zscale Hellberg_Multitask’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7efff54e84a0&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…S: ‘SINGLECLASS’&gt;, ‘th’: [6.5]}]].</p>
 <p>Note that they are not checked with all possible settings
 and all possible preparations,
 but only with the default settings provided
@@ -5784,7 +5784,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_5_ProDec_Sneath_Multitask">
 <span class="sig-name descname"><span class="pre">testDescriptorsPCMAll_5_ProDec_Sneath_Multitask</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.descriptors.tests.TestDescriptorsPCM.testDescriptorsPCMAll_5_ProDec_Sneath_Multitask" title="Permalink to this definition"></a></dt>
-<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Sneath_Multitask’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7ff5bbc7a3c0&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…S: ‘SINGLECLASS’&gt;, ‘th’: [6.5]}]].</p>
+<dd><p>Tests all available descriptor sets with data set preparation [with _=’ProDec_Sneath_Multitask’, desc_set=&lt;qsprpred.extra.data.descriptors…ProDec object at 0x7efff5361490&gt;, target_props=[{‘name’: ‘pchembl_value_Median’…S: ‘SINGLECLASS’&gt;, ‘th’: [6.5]}]].</p>
 <p>Note that they are not checked with all possible settings
 and all possible preparations,
 but only with the default settings provided
diff --git a/docs/api/qsprpred.extra.data.html b/docs/api/qsprpred.extra.data.html
index 283db7fc..48fb9dca 100644
--- a/docs/api/qsprpred.extra.data.html
+++ b/docs/api/qsprpred.extra.data.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.data package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.data package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.extra.data.sampling.html b/docs/api/qsprpred.extra.data.sampling.html
index db706ae5..92ffd8b2 100644
--- a/docs/api/qsprpred.extra.data.sampling.html
+++ b/docs/api/qsprpred.extra.data.sampling.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.data.sampling package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.data.sampling package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.extra.data.tables.html b/docs/api/qsprpred.extra.data.tables.html
index 8517a3bd..674743d2 100644
--- a/docs/api/qsprpred.extra.data.tables.html
+++ b/docs/api/qsprpred.extra.data.tables.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.data.tables package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.data.tables package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
@@ -2557,7 +2557,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_00_MorganFP_ProDec_None_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_00_MorganFP_ProDec_None_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_00_MorganFP_ProDec_None_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_None_None_None’, name=’MorganFP_ProDec_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba575b20&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_None_None_None’, name=’MorganFP_ProDec_None_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3c4d7f0&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2578,7 +2578,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_01_MorganFP_ProDec_None_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_01_MorganFP_ProDec_None_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_01_MorganFP_ProDec_None_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_None_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba575820&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5ba477a40&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_None_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_None_None_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3c4d7c0&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff3b476b0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2599,7 +2599,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_02_MorganFP_ProDec_None_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_02_MorganFP_ProDec_None_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_02_MorganFP_ProDec_None_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_None_RepeatsFilter_None’, name=’MorganFP_ProDec_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba477b60&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5ba320bf0&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_None_RepeatsFilter_None’, name=’MorganFP_ProDec_None_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3b477d0&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff3bf8860&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2620,7 +2620,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_03_MorganFP_ProDec_None_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_03_MorganFP_ProDec_None_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_03_MorganFP_ProDec_None_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’<a href="#id5"><span class="problematic" id="id6">MorganFP_ProDec_None_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id7"><span class="problematic" id="id8">MorganFP_ProDec_None_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba320c80&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5ba477b30&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5ba5ebc20&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’<a href="#id5"><span class="problematic" id="id6">MorganFP_ProDec_None_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, name=’<a href="#id7"><span class="problematic" id="id8">MorganFP_ProDec_None_None_None_</span></a>…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3bf88f0&gt;), split=None, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff3b477a0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff3d534d0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2641,7 +2641,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_04_MorganFP_ProDec_None_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_04_MorganFP_ProDec_None_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_04_MorganFP_ProDec_None_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba320ce0&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5baf09e20&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_None_None_HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3bf8950&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff472c350&gt;, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2662,7 +2662,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_05_MorganFP_ProDec_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_05_MorganFP_ProDec_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_05_MorganFP_ProDec_None_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighC…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_None_HighC…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba6c02f0&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5ba680140&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5ba28bb00&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighC…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_None_HighC…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3ebf8f0&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff474f2c0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff395b770&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2683,7 +2683,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_06_MorganFP_ProDec_None_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_06_MorganFP_ProDec_None_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_06_MorganFP_ProDec_None_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighC…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_None_None_HighC…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba20eb10&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5bb041820&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5ba138bc0&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighC…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_None_None_HighC…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3ada780&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff48ff680&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff3810830&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2704,7 +2704,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_07_MorganFP_ProDec_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_07_MorganFP_ProDec_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_07_MorganFP_ProDec_None_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighC…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_None_HighC…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba28bb90&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5ba320d70&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5ba1b1c40&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5ba1b1c10&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_None_HighC…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_None_HighC…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff395b800&gt;), split=None, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff3bf89e0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff38858b0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff3885880&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2725,7 +2725,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_08_MorganFP_ProDec_None_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_08_MorganFP_ProDec_None_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_08_MorganFP_ProDec_None_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardScaler_None_None_None’, name=’MorganFP_ProDec_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba138cb0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardScaler_None_None_None’, name=’MorganFP_ProDec_None_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3810920&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2746,7 +2746,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_09_MorganFP_ProDec_None_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_09_MorganFP_ProDec_None_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_09_MorganFP_ProDec_None_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba20eb70&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5ba09bd70&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3ada7e0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff37739e0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2767,7 +2767,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_10_MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_10_MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_10_MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_None’, name=’MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba1b1d60&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b9f4ce60&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_None’, name=’MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff38859d0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff3628ad0&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2788,7 +2788,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_11_MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_11_MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_11_MorganFP_ProDec_None_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba09be60&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b9fc1f10&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b9fc1f70&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3773ad0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff36a1b80&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff36a1be0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2809,7 +2809,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_12_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_12_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_12_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_None_StandardSc…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9f4cfb0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9e3aff0&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_None_StandardSc…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3628c20&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff351ec60&gt;, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2830,7 +2830,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_13_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_13_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_13_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba026e10&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9cf00e0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b9cf0140&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff38fea80&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff358bd10&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff358bd70&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2851,7 +2851,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_14_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_14_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_14_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_None_StandardSc…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9e3b140&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9d691c0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b9d69220&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_None_StandardSc…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff351edb0&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff3444e30&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff3444e90&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2872,7 +2872,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_15_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_15_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_15_MorganFP_ProDec_None_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9cf0260&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9bd62a0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b9bd6300&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b9bd6330&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_None_StandardSc…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff358be90&gt;), split=None, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff34b5f10&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff34b5f70&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff34b5fa0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2893,7 +2893,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_16_MorganFP_ProDec_RandomSplit_None_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_16_MorganFP_ProDec_RandomSplit_None_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_16_MorganFP_ProDec_RandomSplit_None_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_None_None_None_None’, name=’MorganFP_ProDec_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9fc2090&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9cf0200&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_None_None_None_None’, name=’MorganFP_ProDec_RandomSplit_None_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff36a1d00&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff358be30&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2914,7 +2914,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_17_MorganFP_ProDec_RandomSplit_None_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_17_MorganFP_ProDec_RandomSplit_None_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_17_MorganFP_ProDec_RandomSplit_None_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9d692e0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9fc2030&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b9b0c470&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3444f50&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff36a1ca0&gt;, feature_standardizer=None, feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff33e00e0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2935,7 +2935,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_18_MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_18_MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_18_MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9bd6450&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5bb042540&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b9b854f0&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff34b60c0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff48ff230&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff3251160&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2956,7 +2956,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_19_MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_19_MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_19_MorganFP_ProDec_RandomSplit_None_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9b0c500&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9bd63f0&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b99fa570&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b99fa540&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff33e0170&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff34b6060&gt;, feature_standardizer=None, feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff32ca1e0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff32ca1b0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2977,7 +2977,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_20_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_20_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_20_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_RandomSplit_Non…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9b855e0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9d69340&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9a7b620&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_RandomSplit_Non…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3251250&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff3444fb0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff314f290&gt;, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -2998,7 +2998,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_21_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_21_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_21_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9c5f4a0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9b85580&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b991c6e0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b991c6b0&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff332f110&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff32511f0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff31f8350&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff31f8320&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3019,7 +3019,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_22_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_22_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_22_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_Non…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9a7b710&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9c5f440&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b999d790&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b999d760&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_Non…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff314f380&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff332f0b0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff306d400&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff306d3d0&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3040,7 +3040,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_23_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_23_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_23_MorganFP_ProDec_RandomSplit_None_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b991c800&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9a7b6b0&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9812840&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b9812810&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b9812870&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Non…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff31f8470&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff314f320&gt;, feature_standardizer=None, feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff30ea4b0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff30ea480&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff30ea4e0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3061,7 +3061,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_24_MorganFP_ProDec_RandomSplit_StandardScaler_None_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_24_MorganFP_ProDec_RandomSplit_StandardScaler_None_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_24_MorganFP_ProDec_RandomSplit_StandardScaler_None_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_StandardScaler_None_None_None’, name=’MorganFP_ProDec_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b99fa690&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b991c7a0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_StandardScaler_None_None_None’, name=’MorganFP_ProDec_RandomSplit_StandardScaler_None_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff32ca300&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff31f8410&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3082,7 +3082,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_25_MorganFP_ProDec_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_25_MorganFP_ProDec_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_25_MorganFP_ProDec_RandomSplit_StandardScaler_None_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9812930&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b999d8b0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b9738a40&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff30ea5a0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff306d520&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff2e0c6b0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3103,7 +3103,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_26_MorganFP_ProDec_RandomSplit_StandardScaler_None_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_26_MorganFP_ProDec_RandomSplit_StandardScaler_None_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_26_MorganFP_ProDec_RandomSplit_StandardScaler_None_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…dScaler_None_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_Sta…dScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9893a40&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9b0c560&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b97b9b20&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…dScaler_None_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_Sta…dScaler_None_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff2f636b0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff33e01d0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff2e85790&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3124,7 +3124,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_27_MorganFP_ProDec_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_27_MorganFP_ProDec_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_27_MorganFP_ProDec_RandomSplit_StandardScaler_None_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9738b60&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b98939e0&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b962ac00&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b962ac30&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff2e0c7d0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff2f63650&gt;, feature_standardizer=StandardScaler(), feature_filter=None, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff2efe870&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff2efe8a0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3145,7 +3145,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_28_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_None_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_28_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_None_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_28_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_None_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_RandomSplit_Sta…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b9812990&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b9738b00&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b96a3d10&gt;, data_filter=None, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…HighCorrelationFilter_None_None’, name=’MorganFP_ProDec_RandomSplit_Sta…HighCorrelationFilter_None_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff30ea600&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff2e0c770&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff2d6f980&gt;, data_filter=None, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3166,7 +3166,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_29_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_29_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_29_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_None_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b962ad50&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b97b9c40&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9550e30&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b9550e60&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…_None_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff2efe9c0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff2e858b0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff2c24aa0&gt;, data_filter=None, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff2c24ad0&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3187,7 +3187,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_30_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_30_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_30_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_None" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_Sta…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5ba09bec0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b962acf0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b95c1f40&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b95c1f70&gt;, applicability_domain=None].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…lationFilter_RepeatsFilter_None’, name=’MorganFP_ProDec_RandomSplit_Sta…lationFilter_RepeatsFilter_None’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff3773b30&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff2efe960&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff2ca1bb0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff2ca1be0&gt;, applicability_domain=None].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
@@ -3208,7 +3208,7 @@ <h2>Submodules<a class="headerlink" href="#submodules" title="Permalink to this
 <dl class="py method">
 <dt class="sig sig-object py" id="qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_31_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain">
 <span class="sig-name descname"><span class="pre">testPrepCombinations_31_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain</span></span><span class="sig-paren">(</span><em class="sig-param"><span class="o"><span class="pre">**</span></span><span class="n"><span class="pre">kw</span></span></em><span class="sig-paren">)</span><a class="headerlink" href="#qsprpred.extra.data.tables.tests.TestPCMDataSetPreparation.testPrepCombinations_31_MorganFP_ProDec_RandomSplit_StandardScaler_HighCorrelationFilter_RepeatsFilter_TopKatApplicabilityDomain" title="Permalink to this definition"></a></dt>
-<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7ff5b999d850&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7ff5b96a3e30&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7ff5b9443050&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7ff5b9443080&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7ff5b94430b0&gt;].</p>
+<dd><p>Test the preparation of the dataset [with _=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, name=’MorganFP_ProDec_RandomSplit_Sta…ilter_TopKatApplicabilityDomain’, feature_calculators=(&lt;qsprpred.data.descriptors.fing…roDec object at 0x7efff306d4c0&gt;), split=&lt;qsprpred.data.sampling.splits.R…mSplit object at 0x7efff2d6faa0&gt;, feature_standardizer=StandardScaler(), feature_filter=&lt;qsprpred.data.processing.featur…Filter object at 0x7efff2b16cc0&gt;, data_filter=&lt;qsprpred.data.processing.data_f…Filter object at 0x7efff2b16cf0&gt;, applicability_domain=&lt;mlchemad.applicability_domains….Domain object at 0x7efff2b16d20&gt;].</p>
 <p>Use different combinations of
 feature calculators, feature standardizers, feature filters and data filters.</p>
 <dl class="field-list simple">
diff --git a/docs/api/qsprpred.extra.data.utils.html b/docs/api/qsprpred.extra.data.utils.html
index 0c92af39..bad76e64 100644
--- a/docs/api/qsprpred.extra.data.utils.html
+++ b/docs/api/qsprpred.extra.data.utils.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.data.utils package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.data.utils package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.extra.data.utils.testing.html b/docs/api/qsprpred.extra.data.utils.testing.html
index 89223acf..bf2c9845 100644
--- a/docs/api/qsprpred.extra.data.utils.testing.html
+++ b/docs/api/qsprpred.extra.data.utils.testing.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.data.utils.testing package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.data.utils.testing package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.extra.gpu.html b/docs/api/qsprpred.extra.gpu.html
index 986735a1..7a077fdf 100644
--- a/docs/api/qsprpred.extra.gpu.html
+++ b/docs/api/qsprpred.extra.gpu.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.gpu package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.gpu package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.extra.gpu.models.html b/docs/api/qsprpred.extra.gpu.models.html
index 57ec69a3..ec1d6fdd 100644
--- a/docs/api/qsprpred.extra.gpu.models.html
+++ b/docs/api/qsprpred.extra.gpu.models.html
@@ -4,7 +4,7 @@
   <meta charset="utf-8" /><meta name="viewport" content="width=device-width, initial-scale=1" />
 
   <meta name="viewport" content="width=device-width, initial-scale=1.0" />
-  <title>qsprpred.extra.gpu.models package &mdash; QSPRpred 3.2.0 documentation</title>
+  <title>qsprpred.extra.gpu.models package &mdash; QSPRpred 3.2.1 documentation</title>
       <link rel="stylesheet" type="text/css" href="../_static/pygments.css?v=fa44fd50" />
       <link rel="stylesheet" type="text/css" href="../_static/css/theme.css?v=19f00094" />
       <link rel="stylesheet" type="text/css" href="../_static/sphinx-design.min.css?v=87e54e7c" />
@@ -17,7 +17,7 @@
   
         <script src="../_static/jquery.js?v=5d32c60e"></script>
         <script src="../_static/_sphinx_javascript_frameworks_compat.js?v=2cd50e6c"></script>
-        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=6d170d0f"></script>
+        <script data-url_root="../" id="documentation_options" src="../_static/documentation_options.js?v=c96f8916"></script>
         <script src="../_static/doctools.js?v=888ff710"></script>
         <script src="../_static/sphinx_highlight.js?v=4825356b"></script>
         <script>
@@ -56,7 +56,7 @@
             QSPRpred
           </a>
               <div class="version">
-                v3.2.0
+                v3.2.1
               </div>
 <div role="search">
   <form id="rtd-search-form" class="wy-form" action="../search.html" method="get">
diff --git a/docs/api/qsprpred.extra.gpu.utils.html b/docs/api/qsprpred.extra.gpu.utils.html
index f3ac0438..dbad6751 100644
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7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31], "replicaid": 2, "caus": 2, "wa": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "add_not": 2, "note": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "with_traceback": 2, "tb": 2, "self": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "__traceback__": 2, "df_report": 2, "thread": [2, 21, 29], "safe": 2, "alreadi": [2, 6, 10, 11, 16, 20, 32], "present": [2, 6, 10, 11, 16, 20], "lock": [2, 29], "input": [2, 6, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 29, 32], "done": [2, 8, 15, 21, 29], "overridden": [2, 20, 24], "differ": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31, 32, 33, 34], "multiprocess": [2, 21, 23, 29], "librari": [2, 23, 29, 32], "implement": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "At": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "moment": [2, 20, 25, 32], "provid": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31, 34], "final": [2, 10, 11, 16, 20, 32], "cannot": 2, "automat": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "level": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "10": [2, 11, 14, 16, 20, 22, 25, 27, 28, 29, 32, 35], "logger": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "rang": 2, "possibl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "0": [2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31, 32, 33, 35], "2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 24, 25, 27, 28, 31], "31": 2, "mean": [2, 5, 11, 16, 21, 23, 25, 27, 29, 32], "same": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "reproduc": [2, 11, 16, 22, 25], "also": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31, 32, 35], "avoid": [2, 20, 22, 25], "recalcul": [2, 11, 16], "were": [2, 11, 16, 17, 20, 22, 24, 25], "e": [2, 7, 11, 14, 16, 20, 22, 25, 26, 28, 32, 35], "themselv": 2, "chang": [2, 11, 16, 20, 24], "code": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "still": [2, 29], "might": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "overlap": 2, "previou": [2, 24, 25, 32], "therefor": [2, 7, 11, 16, 29], "take": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "account": 2, "when": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "you": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 34, 35], "decid": 2, "your": [2, 6, 7, 8, 11, 15, 20, 24, 25, 27, 32, 35], "yield": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31], "iter": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31], "over": [2, 8, 11, 15, 16, 20, 29, 32], "product": 2, "via": [2, 11, 16], "unlock": 2, "_thread": 2, "kwarg": [2, 5, 6, 7, 8, 9, 10, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31], "total": [2, 8], "raise_error": 2, "execut": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "accord": [2, 11, 16], "encount": 2, "case": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "skip": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "lock_data": 2, "lock_report": 2, "so": [2, 6, 7, 11, 14, 17, 20, 22, 25], "pickl": [2, 20], "more": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 33], "easili": 2, "catch": 2, "constructor": [2, 11, 16, 20], "alwai": [2, 11, 14, 16, 20, 32], "keyword": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "group": [2, 8, 11, 14, 16, 34], "reserv": 2, "futur": [2, 20, 21, 23, 29], "extens": [2, 5, 16, 22, 24, 28], "threadgroup": 2, "invok": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "noth": [2, 25], "By": [2, 5, 6, 7, 11, 14, 16, 24], "construct": [2, 7, 11, 16, 20], "form": [2, 11, 16, 20], "n": [2, 5, 11, 16, 20], "where": [2, 5, 8, 10, 11, 15, 16, 17, 20, 22, 24, 25, 29, 31, 32], "small": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "decim": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31], "tupl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31], "invoc": 2, "subclass": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 33], "overrid": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31], "__init__": 2, "befor": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "do": [2, 11, 16, 25, 32, 35], "anyth": [2, 35], "els": [2, 24], "boolean": [2, 7, 10, 11, 16, 20, 22, 25], "runtimeerror": [2, 20], "Its": [2, 20], "inherit": 2, "main": [2, 6, 11, 14, 16, 23, 29, 35], "entir": [2, 25], "python": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 34, 35], "program": [2, 11, 15, 17], "exit": 2, "left": 2, "identif": 2, "purpos": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "deprec": [2, 5, 20], "instead": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 30, 31], "nonzero": 2, "integ": [2, 8, 10, 15], "get_id": 2, "mai": [2, 20, 22, 24, 25, 35], "recycl": 2, "anoth": [2, 20, 22, 25, 31, 32], "even": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "aliv": 2, "just": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 35], "until": 2, "termin": [2, 29], "enumer": [2, 20, 29], "timeout": [2, 21, 23, 29], "wait": [2, 20], "block": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "whose": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "either": [2, 7, 8, 11, 16, 20, 22, 24, 25, 28, 32], "normal": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "through": [2, 24, 27, 32], "unhandl": 2, "occur": [2, 24], "point": [2, 8, 20, 24], "second": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "fraction": [2, 8, 20, 32], "thereof": [2, 32], "As": [2, 32], "happen": 2, "time": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 35], "out": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "ed": [2, 27], "mani": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "attempt": [2, 21, 23, 29], "made": [2, 20, 22, 25], "would": [2, 5, 6, 7, 8, 11, 14, 20, 25, 28, 31], "deadlock": 2, "semant": 2, "multipl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 23, 25, 28, 31, 32], "nativ": [2, 5], "integr": [2, 20], "non": [2, 11, 16, 20, 25], "neg": [2, 27], "get_native_id": 2, "kernel": 2, "": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31, 32], "activ": [2, 10, 11, 20, 32], "pass": [2, 3, 5, 6, 7, 8, 10, 11, 14, 16, 17, 20, 21, 22, 23, 24, 25, 29, 31, 32], "sequenti": [2, 20], "taken": [2, 8, 15, 20, 22, 25], "respect": [2, 11, 15, 16, 20, 25, 32], "most": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "onc": [2, 20, 32], "per": [2, 11, 16, 20, 24, 25, 26, 28, 32], "arrang": 2, "separ": [2, 11, 16, 24, 35], "control": [2, 32], "than": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 35], "methodnam": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "runtest": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "datasetspathmixin": [2, 5, 6, 7, 8, 11, 14, 18, 29, 31], "qsprtestcas": [2, 5, 6, 7, 8, 11, 14, 21, 22, 23, 25, 28, 29, 31], "cleanup": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "item": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "unlik": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "complet": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "ad": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "lifo": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "basi": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "failur": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "success": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "typeobj": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "specif": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 31, 32, 33], "style": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "compar": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "testcas": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "need": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "regist": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "own": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "equal": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "nicer": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "messag": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "both": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "two": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "msg": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "place": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31, 32], "delta": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "unequ": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "round": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31], "7": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "zero": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "between": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31, 32], "usual": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "signific": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "digit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "measur": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "almost": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "assert": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "element": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "without": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "regard": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "counter": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "d1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "d2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expr": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "express": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "b": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "like": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "member": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expr1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expr2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "cl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "isinst": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "symmetri": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "list1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "list2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "unless": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "higher": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "emit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "logger_nam": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "children": [2, 5, 6, 7, 8, 11, 14, 15, 16, 19, 20, 21, 22, 23, 24, 25, 28, 29, 31], "omit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "info": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "root": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31], "context": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "manag": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "end": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "correspond": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "logrecord": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "foo": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "cm": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "getlogg": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "bar": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "multi": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "less": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "text": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "unexpected_regex": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "regular": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expected_except": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "posit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31], "caught": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "deem": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "suffer": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "exactli": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "unexpect": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "someexcept": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "do_someth": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "keep": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "refer": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31], "allow": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "the_except": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "error_cod": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "3": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31, 32, 35], "expected_regex": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "regex": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expect": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31], "re": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "pattern": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "found": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 33], "seq1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "seq2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "seq_typ": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "sequenc": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "For": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 34], "valid": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31, 32], "length": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 25, 28, 29, 31], "datatyp": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "enforc": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "set1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "set2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "ducktyp": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "support": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31, 32], "tuple1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "tuple2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expected_warn": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "warn": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "warnclass": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "trigger": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "handl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 25, 27, 28, 29, 31], "depend": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 35], "other": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "rule": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "effect": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "silenc": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "print": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "somewarn": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "similarli": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "lineno": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "give": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "about": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 30, 31], "the_warn": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "some_attribut": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "147": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "regexp": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "basic": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 33, 35], "similar": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "addit": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "consid": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "remov": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 22, 24, 25, 28, 31, 32], "qsprdataset_multi_test": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "hbd": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "100": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 27, 28, 31, 32], "preparation_set": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "random_st": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "42": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "larg": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 29, 31], "dataset": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "state": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "qsprdataset_test_larg": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "n_job": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "chunk_siz": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "qsprdataset_test_smal": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "df": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "qsprdataset_test": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "prep": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "frame": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "collect": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 33], "testresult": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "wide": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "enter": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "suppli": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "__exit__": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "__enter__": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "immedi": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "alia": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "assertionerror": [2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "ideal": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31], "now": [2, 5, 6, 7, 8, 11, 16, 20, 25, 28, 31, 32], "manual": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31, 32], "below": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31, 32], "todo": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31], "nice": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31], "registri": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31], "hold": [2, 5, 6, 7, 8, 11, 20, 22, 25, 26, 28, 31, 32], "instal": [2, 5, 6, 7, 8, 11, 17, 20, 24, 25, 28, 31, 34], "descriptorcalcul": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31], "featur": [2, 3, 4, 5, 6, 7, 8, 11, 13, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 34], "again": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "exhaust": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "cover": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "lot": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "abov": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 24, 25, 28, 31], "descriptor_calcul": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "grid": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "morgan": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31, 32], "rdkit": [2, 5, 6, 7, 8, 11, 14, 16, 20, 22, 25, 28, 31, 32, 35], "behaviour": [2, 5, 6, 7, 8, 11, 20, 24, 25, 28, 31], "want": [2, 5, 6, 7, 8, 10, 11, 16, 20, 24, 25, 28, 31, 32, 35], "well": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32, 35], "parameter": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "640": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "hook": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "up": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "fixtur": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "exercis": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "descript": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "reason": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "enclos": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "mark": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "resum": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "further": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "deconstruct": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "simpli": [2, 6, 29, 32], "moleculet": [2, 4, 9, 10, 11, 16, 20, 22, 25], "consist": [3, 6, 11, 14, 15, 16, 20, 22, 25, 31], "inconsist": 3, "repeatsfilt": [3, 4, 7, 11, 16, 33], "datasplit": [3, 4, 8, 11, 15, 16, 20, 26, 32, 33], "chembl": [3, 5, 11, 16, 20, 22, 25], "sklearnstandard": [3, 4, 7, 11, 16, 20, 25], "These": [3, 8, 11, 15, 20], "preparedataset": [3, 4, 11, 13, 16], "fill": [3, 11, 16, 20, 22, 25], "fpsimilarityclust": [4, 5, 33], "get_clust": [4, 5], "requiredprop": [4, 5, 6, 7, 13, 14], "supportsparallel": [4, 5, 6, 7, 13, 14], "fpsimilarityleaderpickerclust": [4, 5, 33], "fpsimilaritymaxminclust": [4, 5, 8, 33], "moleculeclust": [4, 5, 8, 11, 16, 33], "randomclust": [4, 5, 33], "scaffoldclust": [4, 5, 33], "match_mol_to_smart": [4, 5, 11, 16], "bemismurcko": [4, 5, 33], "findterminalatom": [4, 5], "bemismurckordkit": [4, 5, 8], "checksmilesvalid": [4, 5, 11, 16], "chembl_smi_standard": [4, 5], "neutralize_atom": [4, 5], "old_standardize_sanit": [4, 5], "testclust": [4, 5], "testclusteradd": [4, 5], "testclusteradd_0_random": [4, 5], "testclusteradd_1_fpsimilaritymaxmin": [4, 5], "testclusteradd_2_fpsimilarityleaderpick": [4, 5], "testclusteradd_3_scaffold": [4, 5], "testscaffold": [4, 5], "testscaffoldadd": [4, 5], "testscaffoldadd_0_murcko": [4, 5], "testscaffoldadd_1_bemismurcko": [4, 5], "testscaffoldadd_2_bemismurckocsk": [4, 5], "testscaffoldadd_3_bemismurckojustcsk": [4, 5], "testscaffoldadd_4_bemismurckooff": [4, 5], "teststandard": [4, 5], "testinvalidfilt": [4, 5], "atompairfp": [4, 6, 33], "dtype": [4, 6, 13, 14, 20], "getdescriptor": [4, 6, 11, 13, 14, 16], "isfp": [4, 6, 13, 14], "itermol": [4, 6, 13, 14], "prepmol": [4, 6, 13, 14], "transformtofeaturenam": [4, 6, 13, 14], "treatinf": [4, 6, 13, 14], "usedbit": [4, 6, 13, 14], "avalonfp": [4, 6, 33], "layeredfp": [4, 6, 33], "maccsfp": [4, 6, 33], "morganfp": [4, 5, 6, 7, 33], "patternfp": [4, 6, 33], "rdkitfp": [4, 6, 33], "rdkitmaccsfp": [4, 6, 33], "topologicalfp": [4, 6, 33], "dataframedescriptorset": [4, 6, 7, 33], "getdf": [4, 6, 11, 13, 16], "getindex": [4, 6], "getindexcol": [4, 6], "setindex": [4, 6, 11, 13, 16], "drugexphyschem": [4, 6, 33], "getpropdict": [4, 6], "predictordesc": [4, 6, 33], "rdkitdesc": [4, 6, 33], "smilesdesc": [4, 6, 33], "tanimotodist": [4, 6, 33], "calculate_fingerprint": [4, 6], "testdescriptorcalcul": [4, 6], "getdesclist": [4, 6], "testdrop": [4, 6], "testswitch": [4, 6, 13, 14], "testswitching_0": [4, 6], "testswitching_1": [4, 6], "testswitching_2": [4, 6], "testswitching_3": [4, 6], "testdescriptorset": [4, 6], "testconsist": [4, 6, 7, 19, 20], "testdrugexphyschem": [4, 6], "testfingerprintset": [4, 6], "testpredictordescriptor": [4, 6], "testrdkitdesc": [4, 6], "testsmilesdesc": [4, 6], "testtanimotodist": [4, 6], "testdescriptorsal": [4, 6], "checkdatasetcontainsdescriptorset": [4, 6, 13, 14, 29, 31], "checkdescriptor": [4, 6, 11, 13, 14, 16, 29, 31], "checkfeatur": [4, 6, 11, 13, 14, 16, 29, 31], "getdatsetnam": [4, 6, 13, 14, 29, 31], "testdescriptorsall_00_rdkit_regress": [4, 6], "testdescriptorsall_01_drugexphyschem_regress": [4, 6], "testdescriptorsall_02_predictordesc_regress": [4, 6], "testdescriptorsall_03_tanimotodistances_regress": [4, 6], "testdescriptorsall_04_atompairfp_regress": [4, 6], "testdescriptorsall_05_avalonfp_regress": [4, 6], "testdescriptorsall_06_layeredfp_regress": [4, 6], "testdescriptorsall_07_maccsfp_regress": [4, 6], "testdescriptorsall_08_morganfp_regress": [4, 6], "testdescriptorsall_09_patternfp_regress": [4, 6], 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31], "check": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "mix": [1, 31], "multitask": [1, 8, 20, 22, 25, 26], "str": [1, 2, 3, 5, 6, 7, 8, 9, 10, 11, 14, 15, 16, 17, 18, 20, 22, 24, 25, 26, 27, 28, 29, 31], "liter": [1, 5, 11, 16, 20, 21, 23, 25, 28, 29, 31], "float": [1, 2, 3, 5, 7, 8, 10, 11, 16, 19, 20, 22, 25, 26, 27, 28], "n_class": [1, 20, 28], "int": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32], "transform": [1, 4, 7, 11, 16], "callabl": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 26, 28, 29, 31], "imput": [1, 11, 16, 32], "variabl": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 20, 22, 25, 26, 27, 28, 29, 30, 31], "threshold": [1, 5, 7, 8, 11, 16, 20, 27, 29, 32], "onli": [1, 2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "us": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32, 33, 35], "number": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 31, 32], "function": [1, 2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 31, 32], "initi": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 22, 24, 25, 26, 27, 28, 29], "paramet": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 19, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31], "param": [1, 2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 25, 28, 29, 31], "If": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 35], "precomput": [1, 32], "must": [1, 2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "specifi": [1, 2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "otherwis": [1, 2, 5, 10, 11, 16, 17, 20, 21, 22, 23, 24, 25, 29], "infer": [1, 11, 16], "from": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 33, 35], "classmethod": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 25, 28, 29, 31], "d": [1, 2, 6, 11, 14, 16, 20, 22, 24, 25, 31, 32], "dict": [1, 2, 5, 6, 7, 8, 9, 10, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31], "creat": [1, 2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 25, 26, 28, 29, 30, 31, 32], "dictionari": [1, 2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 22, 24, 25, 28, 31, 32], "can": [1, 2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33, 35], "string": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31], "contain": [1, 2, 3, 4, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "inform": [1, 2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 33], "exampl": [1, 2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 33, 34], "property_nam": [1, 28], "filenam": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31], "ani": [1, 2, 3, 6, 7, 11, 14, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 32], "new": [1, 2, 3, 6, 7, 8, 10, 11, 14, 15, 16, 17, 20, 22, 24, 25, 28, 29, 30], "instanc": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31], "json": [1, 2, 3, 6, 7, 11, 14, 16, 17, 20, 22, 25, 29, 32], "file": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 22, 24, 25, 28, 29, 31, 32], "path": [1, 2, 3, 6, 7, 10, 11, 14, 16, 17, 20, 22, 24, 25, 28, 29, 31, 32], "reconstruct": [1, 2, 3, 6, 7, 11, 14, 16, 17, 20, 22, 25, 29], "obj": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 25, 28, 29, 31], "_list": 1, "get": [1, 2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 28, 29, 30, 31, 35], "select": [1, 6, 7, 11, 16], "subset": [1, 6, 8, 11, 15, 16], "original_nam": 1, "bool": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 20, 22, 24, 25, 26, 28, 29, 31], "whether": [1, 2, 3, 5, 7, 8, 11, 14, 16, 20, 22, 24, 25, 26, 28, 31, 32], "origin": [1, 5, 8, 11, 16, 17, 20, 27], "thi": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 26, 28, 29, 30, 31, 32, 35], "should": [1, 2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31, 32], "necessari": [1, 2, 3, 6, 7, 11, 14, 16, 17, 20, 22, 25, 29], "absolut": [1, 2, 3, 6, 7, 11, 14, 16, 17, 20, 22, 25, 27, 29], "task_as_str": 1, "fals": [1, 2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31, 32], "drop_transform": 1, "true": [1, 2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 31, 32], "singl": [1, 2, 5, 8, 11, 16, 20, 28, 32], "benchmarkset": [2, 3], "assessor": [2, 3, 33], "checkconsist": [2, 3, 4, 11], "n_replica": [2, 3], "prep_set": [2, 3], "random_se": [2, 3], "target_prop": [2, 3, 5, 6, 7, 8, 9, 10, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "dataprepset": [2, 3], "feature_fill_valu": [2, 3, 11, 16], "shuffl": [2, 3, 4, 5, 6, 7, 8, 11, 13, 14, 15, 16, 18, 20, 22, 25, 28, 31], "smiles_standard": [2, 3, 11, 16, 20, 22, 25], "idx": [2, 20], "datasourc": [2, 3, 4, 9, 10, 33], "descriptorset": [2, 3, 4, 6, 11, 13, 14, 15, 16, 18, 22, 33], "modelassessor": [2, 3, 25, 26, 33], "determin": [2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31], "index": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31, 32, 34], "an": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 30, 31, 32, 34, 35], "identifi": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "rather": [2, 8, 11, 15], "indic": [2, 5, 6, 7, 8, 11, 15, 16, 20, 21, 22, 23, 24, 25, 29, 32], "order": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "targetprop": 2, "prepset": 2, "prepar": [2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 33], "current": [2, 6, 11, 13, 14, 16, 17, 20, 24, 25, 32], "hyperparamet": [2, 3, 20, 22, 25, 33], "randomse": 2, "seed": [2, 3, 5, 7, 8, 14, 15, 16, 18, 20, 22, 25, 30, 32], "oper": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "withing": 2, "qsprdataset": [2, 3, 4, 5, 6, 7, 8, 9, 10, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "avail": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32, 34, 35], "after": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "ha": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "been": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "call": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "result": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "pd": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 22, 25, 26, 28, 30, 31, 32], "datafram": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 22, 25, 26, 28, 30, 31, 32], "reload": [2, 4, 10, 11, 13, 16], "add": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31, 32], "sure": [2, 5, 7, 8, 11, 16], "first": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "option": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 35], "overwrit": [2, 11, 16], "exist": [2, 6, 10, 11, 16, 17, 20, 22, 24, 25], "reiniti": [2, 20, 22, 25], "scratch": [2, 11], "default": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 30, 31, 32], "rais": [2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "valueerror": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "report": 2, "A": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 33], "have": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 35], "calcul": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 25, 27, 28, 29, 31, 33], "uniqu": [2, 5, 6, 7, 11, 14, 16, 31], "includ": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 35], "requir": [2, 5, 6, 7, 10, 11, 14, 16, 17, 20, 21, 22, 24, 25, 27, 35], "The": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 32, 35], "ar": [2, 3, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 33, 35], "attribut": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31], "thei": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "access": [2, 10, 14, 15, 16, 18, 20, 22, 32], "which": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "combin": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "relev": [2, 7, 11, 16], "one": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 30, 31, 32], "data_dir": [2, 10], "results_fil": 2, "parallel_generator_cpu": 2, "parallel_generator_gpu": 2, "experi": 2, "It": [2, 5, 6, 7, 8, 11, 15, 16, 20, 22, 25, 28, 31, 32, 34], "translat": 2, "its": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "them": [2, 5, 6, 7, 8, 11, 16, 20, 25, 28, 31], "each": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 27, 28, 29, 31, 32, 35], "append": [2, 24, 28], "resultsfil": 2, "finish": [2, 25], "output": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31, 32], "datadir": [2, 10], "pseudo": 2, "wai": [2, 11, 16], "master": [2, 20], "There": [2, 32], "some": [2, 5, 7, 11, 16, 20, 22, 24, 25, 30, 31, 32, 33, 35], "caveat": 2, "see": [2, 5, 8, 10, 11, 14, 15, 16, 20, 22, 25, 32, 33, 35], "docstr": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "nproc": 2, "directori": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 17, 18, 20, 22, 24, 25, 28, 31, 32], "store": [2, 10, 11, 16, 17, 20, 22, 24, 25, 31], "doe": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "tsv": [2, 10, 11, 16, 32], "cpu": [2, 19, 20, 21, 23, 29, 32], "multiprocessingpoolgener": [2, 11, 21], "except": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "replica_id": 2, "custom": [2, 11, 16, 20, 22, 25, 32], "error": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31], "replicaid": 2, "caus": 2, "wa": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "add_not": 2, "note": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "with_traceback": 2, "tb": 2, "self": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "__traceback__": 2, "df_report": 2, "thread": [2, 21, 29], "safe": 2, "alreadi": [2, 6, 10, 11, 16, 20, 32], "present": [2, 6, 10, 11, 16, 20], "lock": [2, 29], "input": [2, 6, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 29, 32], "done": [2, 8, 15, 21, 29], "overridden": [2, 20, 24], "differ": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31, 32, 33, 34], "multiprocess": [2, 21, 23, 29], "librari": [2, 23, 29, 32], "implement": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "At": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "moment": [2, 20, 25, 32], "provid": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31, 34], "final": [2, 10, 11, 16, 20, 32], "cannot": 2, "automat": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "level": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "10": [2, 11, 14, 16, 20, 22, 25, 27, 28, 29, 32, 35], "logger": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "rang": 2, "possibl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "0": [2, 3, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31, 32, 33, 35], "2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 24, 25, 27, 28, 31], "31": 2, "mean": [2, 5, 11, 16, 21, 23, 25, 27, 29, 32], "same": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "reproduc": [2, 11, 16, 22, 25], "also": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31, 32, 35], "avoid": [2, 20, 22, 25], "recalcul": [2, 11, 16], "were": [2, 11, 16, 17, 20, 22, 24, 25], "e": [2, 7, 11, 14, 16, 20, 22, 25, 26, 28, 32, 35], "themselv": 2, "chang": [2, 11, 16, 20, 24], "code": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "still": [2, 29], "might": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "overlap": 2, "previou": [2, 24, 25, 32], "therefor": [2, 7, 11, 16, 29], "take": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "account": 2, "when": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "you": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 34, 35], "decid": 2, "your": [2, 6, 7, 8, 11, 15, 20, 24, 25, 27, 32, 35], "yield": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 28, 29, 31], "iter": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31], "over": [2, 8, 11, 15, 16, 20, 29, 32], "product": 2, "via": [2, 11, 16], "unlock": 2, "_thread": 2, "kwarg": [2, 5, 6, 7, 8, 9, 10, 11, 14, 15, 16, 17, 20, 21, 22, 23, 24, 25, 28, 29, 31], "total": [2, 8], "raise_error": 2, "execut": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "accord": [2, 11, 16], "encount": 2, "case": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "skip": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "lock_data": 2, "lock_report": 2, "so": [2, 6, 7, 11, 14, 17, 20, 22, 25], "pickl": [2, 20], "more": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 30, 31, 33], "easili": 2, "catch": 2, "constructor": [2, 11, 16, 20], "alwai": [2, 11, 14, 16, 20, 32], "keyword": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "group": [2, 8, 11, 14, 16, 34], "reserv": 2, "futur": [2, 20, 21, 23, 29], "extens": [2, 5, 16, 22, 24, 28], "threadgroup": 2, "invok": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "noth": [2, 25], "By": [2, 5, 6, 7, 11, 14, 16, 24], "construct": [2, 7, 11, 16, 20], "form": [2, 11, 16, 20], "n": [2, 5, 11, 16, 20], "where": [2, 5, 8, 10, 11, 15, 16, 17, 20, 22, 24, 25, 29, 31, 32], "small": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31], "decim": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31], "tupl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31], "invoc": 2, "subclass": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 33], "overrid": [2, 5, 6, 7, 8, 11, 20, 25, 28, 31], "__init__": 2, "befor": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "do": [2, 11, 16, 25, 32, 35], "anyth": [2, 35], "els": [2, 24], "boolean": [2, 7, 10, 11, 16, 20, 22, 25], "runtimeerror": [2, 20], "Its": [2, 20], "inherit": 2, "main": [2, 6, 11, 14, 16, 23, 29, 35], "entir": [2, 25], "python": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 34, 35], "program": [2, 11, 15, 17], "exit": 2, "left": 2, "identif": 2, "purpos": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "deprec": [2, 5, 20], "instead": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 30, 31], "nonzero": 2, "integ": [2, 8, 10, 15], "get_id": 2, "mai": [2, 20, 22, 24, 25, 35], "recycl": 2, "anoth": [2, 20, 22, 25, 31, 32], "even": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "aliv": 2, "just": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 35], "until": 2, "termin": [2, 29], "enumer": [2, 20, 29], "timeout": [2, 21, 23, 29], "wait": [2, 20], "block": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "whose": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "either": [2, 7, 8, 11, 16, 20, 22, 24, 25, 28, 32], "normal": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "through": [2, 24, 27, 32], "unhandl": 2, "occur": [2, 24], "point": [2, 8, 20, 24], "second": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "fraction": [2, 8, 20, 32], "thereof": [2, 32], "As": [2, 32], "happen": 2, "time": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32, 35], "out": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "ed": [2, 27], "mani": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 22, 25, 28, 31, 32], "attempt": [2, 21, 23, 29], "made": [2, 20, 22, 25], "would": [2, 5, 6, 7, 8, 11, 14, 20, 25, 28, 31], "deadlock": 2, "semant": 2, "multipl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 23, 25, 28, 31, 32], "nativ": [2, 5], "integr": [2, 20], "non": [2, 11, 16, 20, 25], "neg": [2, 27], "get_native_id": 2, "kernel": 2, "": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31, 32], "activ": [2, 10, 11, 20, 32], "pass": [2, 3, 5, 6, 7, 8, 10, 11, 14, 16, 17, 20, 21, 22, 23, 24, 25, 29, 31, 32], "sequenti": [2, 20], "taken": [2, 8, 15, 20, 22, 25], "respect": [2, 11, 15, 16, 20, 25, 32], "most": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "onc": [2, 20, 32], "per": [2, 11, 16, 20, 24, 25, 26, 28, 32], "arrang": 2, "separ": [2, 11, 16, 24, 35], "control": [2, 32], "than": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 35], "methodnam": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "runtest": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "datasetspathmixin": [2, 5, 6, 7, 8, 11, 14, 18, 29, 31], "qsprtestcas": [2, 5, 6, 7, 8, 11, 14, 21, 22, 23, 25, 28, 29, 31], "cleanup": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "item": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "unlik": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "complet": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "ad": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "lifo": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "basi": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "failur": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "success": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "typeobj": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "specif": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 27, 28, 29, 31, 32, 33], "style": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "compar": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "testcas": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "need": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "regist": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "own": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "equal": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "nicer": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "messag": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "both": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "two": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "msg": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "place": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31, 32], "delta": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "unequ": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "round": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31], "7": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "zero": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "between": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31, 32], "usual": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "signific": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "digit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "measur": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "almost": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "assert": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "element": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "without": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "regard": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "counter": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "d1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "d2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expr": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "express": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "b": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "like": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "member": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expr1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expr2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "cl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "isinst": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "symmetri": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "list1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "list2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "unless": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "higher": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "emit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "logger_nam": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "children": [2, 5, 6, 7, 8, 11, 14, 15, 16, 19, 20, 21, 22, 23, 24, 25, 28, 29, 31], "omit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "info": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "root": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 27, 28, 29, 31], "context": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "manag": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "end": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "correspond": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "logrecord": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "foo": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "cm": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "getlogg": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "bar": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "multi": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "less": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "text": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "unexpected_regex": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "regular": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expected_except": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "posit": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31], "caught": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "deem": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "suffer": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "exactli": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "unexpect": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "someexcept": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "do_someth": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "keep": [2, 5, 6, 7, 8, 10, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32], "refer": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31], "allow": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "the_except": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "error_cod": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "3": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 26, 28, 29, 31, 32, 35], "expected_regex": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "regex": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expect": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 27, 28, 29, 31], "re": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "pattern": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "found": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 33], "seq1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "seq2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "seq_typ": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "sequenc": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 18, 20, 21, 22, 23, 25, 28, 29, 31, 32], "For": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 34], "valid": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31, 32], "length": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 25, 28, 29, 31], "datatyp": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "enforc": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "set1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "set2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "ducktyp": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "support": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 26, 28, 29, 31, 32], "tuple1": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "tuple2": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "expected_warn": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "warn": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31], "warnclass": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "trigger": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "handl": [2, 5, 6, 7, 8, 11, 14, 15, 16, 17, 20, 21, 22, 23, 25, 27, 28, 29, 31], "depend": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 35], "other": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31, 32, 35], "rule": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "effect": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "silenc": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 25, 28, 29, 31], "print": [2, 5, 6, 7, 8, 11, 14, 15, 16, 20, 21, 22, 23, 24, 25, 28, 29, 31, 32], "somewarn": [2, 5, 6, 7, 8, 11, 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\ No newline at end of file
