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Fig. 10 | Journal of Cheminformatics

Fig. 10

From: Assessing the information content of structural and protein–ligand interaction representations for the classification of kinase inhibitor binding modes via machine learning and active learning

Fig. 10

Kinase binding site representation and IFPs. a For 85 residues positions comprising the kinase binding site region (horizontal axis), the amino acid ratios across all kinase structures (vertical axis) is reported as a frequency-based color gradient heatmap. Key structural elements are indicated. b The expansion of the 85-bit vector to the 595-bit IFP through specification of seven different types of interactions is illustrated

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Journal of Cheminformatics

ISSN: 1758-2946

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