Fig. 4
From: Discovery of moiety preference by Shapley value in protein kinase family using random forest models
Identification of common and specific moieties of 10 kinase families. A Hierarchical clustering of top 30 Shapely value (SHAP) moieties on 10 kinase families and the identified common/specific moieties. B List of 8 common moieties across 10 kinase families. Example of common moieties of (C) the JAK kinase family validated by complex structure, which interact with hinge and p-loop, and D on the CLK kinase family, which interact with hinge and DFG. E Specific moieties, Checkmol moiety #41, on the GSK family was identified and validated by the contribution of the Shapley value. F Specific moieties, Checkmol moiety #31, on the AKT family was identified and validated by the contribution of the Shapley value