Interpretable-ADMET: a web service for ADMET prediction and optimization based on deep neural representation

Wei, Y; Li, SS; Li, ZL; Wan, ZW; Lin, JP

Lin, JP (通讯作者),Nankai Univ, Coll Pharm, Frontiers Sci Ctr Cell Responses, State Key Lab Med Chem Biol, Tianjin 300353, Peoples R China.;Lin, JP (通讯作者),Nankai Univ, Tianjin Key Lab Mol Drug Res, Tianjin 300353, Peoples R China.;Lin, JP (通讯作者),Tianjin Int Joint Acad Biomed, Platform Pharmaceut Intelligence, Tianjin 300457, Peoples R China.;Lin, JP (通讯作者),Chinese Acad Sci, Biodesign Ctr, Tianjin Inst Ind Biotechnol, Tianjin 300308, Peoples R China.

BIOINFORMATICS, 2022; 38 (10): 2863

Abstract

Motivation: In the process of discovery and optimization of lead compounds, it is difficult for non-expert pharmacologists to intuitively determine th......

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