Small World is an index of chemical space containing more than 230B molecular substructures. Here we use the Small World API to post a query to the SmallWorld server. We sample 100 molecules within a distance of 10 specifically for the ZINC map, not the entire SmallWorld domain. Please check other small-world models available in our hub.
- EOS model ID:
eos1d7r - Slug:
small-world-zinc
- Input:
Compound - Input Shape:
Single - Task:
Similarity - Output:
Compound - Output Type:
String - Output Shape:
List - Interpretation: List of 100 nearest neighbors
- 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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