Discovery of moiety preference by Shapley value in protein kinase family using random forest models

Discovery of moiety preference by Shapley value in protein kinase family using random forest models

Abstract Background Human protein kinases play important roles in cancers, are highly co-regulated by kinase families rather than a single kinase, and complementarily regulate signaling pathways. Even though there are > 100,000 protein kinase inhibitors, only 67 kinase drugs are currently approve...

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Bibliographic Details
Main Authors: Yu-Wei Huang, Yen-Chao Hsu, Yi-Hsuan Chuang, Yun-Ti Chen, Xiang-Yu Lin, You-Wei Fan, Nikhil Pathak, Jinn-Moon Yang
Format: Article
Language:English
Published: BMC 2022-04-01
Series:BMC Bioinformatics
Subjects:
Kinase family inhibitor
Random forest
Shapley Additive exPlanations (SHAP) approach
Merged moiety-based interpretable features (MMIFs)
Kinase inhibitors
Online Access:https://doi.org/10.1186/s12859-022-04663-5

Internet

https://doi.org/10.1186/s12859-022-04663-5

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