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Supplementary materials for the article "Prediction of Protein–ligand Interaction Based on Sequence Similarity and Ligand Structural Features" Int. J. Mol. Sci. 2020, 21(21), 8152; https://doi.org/10.3390/ijms21218152

Here are the data collected in accordance with the protocol in points 3.1 and 3.2.

We draw your attention to the fact that filtration by the minimum amount of proteins and ligands in classes is performed programmatically using the developed software.

The name of the studied group of proteins is encrypted in accordance with the pattern: [<protein group>-<activity parameter>-<activity cutoff>.sdf].


Files are in SDF format, the "molregno" field is the ligand identifier, the "activation" field is the name of target protein.


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