A set of 25 Chemical Checker bioactivity signatures (including 2D & 3D fingerprints, scaffold, binding, crystals, side effects, cell bioassays, etc) to capture properties of compounds beyond their structures. Each signature has a length of 128 dimensions. In total, there are 3200 dimensions. The signaturizer is periodically updated. We use the 2020-02 version of the signaturizer.
- EOS model ID:
eos4u6p - Slug:
cc-signaturizer
- Input:
Compound - Input Shape:
Single - Task:
Representation - Output:
Descriptor - Output Type:
Float - Output Shape:
List - Interpretation: 2D projection of bioactivity signatures
- Publication
- Source Code
- Ersilia contributor: miquelduranfrigola
If you use this model, please cite the original authors of the model and the Ersilia Model Hub.
This package is licensed under a GPL-3.0 license. The model contained within this package is licensed under a MIT license.
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