Consensus scoring model: A novel approach to the study of EGFR kinase inhibitors

Lin-Guo Zhao,Dong-Dong Li, Xiao-Qing Liu,Yong-Jia Yi,Yuan Kong,Pan Yu

Chemical Physics Letters（2022）

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摘要

•Common scoring functions were ineffective for scoring EGFR protein crystals.•Twelve EGFR consensus scoring models were trained based on the scoring results.•The best scoring model 3 exhibited potent scoring power for various EGFR inhibitors.

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关键词

EGFR kinase inhibitors,Scoring function,Consensus scoring model,Ligand efficiency indices

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