Prediction of Human Cytochrome P450 Inhibition Using a Multitask Deep Autoencoder Neural Network.

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作者： Xiang,Li ^[1] ; Youjun,Xu ^[2] ; Luhua,Lai ^[3] ; Jianfeng,Pei ^[1]

作者单位： Center for Life Sciences, Academy for Advanced Interdisciplinary Studies , Peking University , Beijing 100871 , China. ^[1] BNLMS, State Key Laboratory for Structural Chemistry of Unstable and Stable Species, College of Chemistry and Molecular Engineering , Peking University , Beijing 100871 , China. ^[2] Center for Quantitative Biology, Academy for Advanced Interdisciplinary Studies , Peking University , Beijing 100871 , China. ^[3]

关键词 cytochrome P450 drug?drug interaction multitask deep neural network quantitative structure?activity relationship sensitivity analysis

主题词算法(Algorithms);细胞色素P450酶系统(Cytochrome P-450 Enzyme System);药物相互作用(Drug Interactions);人类(Humans);蛋白质亚型(Protein Isoforms);量化构效关系(Quantitative Structure-Activity Relationship)

DOI 10.1021/acs.molpharmaceut.8b00110

PMID 29775322

发布时间 2019-12-10

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