A Scaffold-based Deep Generative Model Considering Molecular Stereochemical Information.

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第一作者： Tianxu,Xu

第一单位： Department, Institution:Key Laboratory of Molecular Pharmacology and Drug Evaluation, Ministry of Education, Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong, School of Pharmacy, Yantai University, No. 30, Qingquan Road, Laishan District, Yantai, 264005, China.

作者： Tianxu,Xu ^[1] ; Minjun,Wang ^[1] ; Xiaoqian,Liu ^[1] ; Dawei,Feng ^[1] ; Yanjuan,Zhu ^[1] ; Zhe,Fan ^[1] ; Shurong,Rao ^[1] ; Jing,Lu ^[1]

作者单位： Department, Institution:Key Laboratory of Molecular Pharmacology and Drug Evaluation, Ministry of Education, Collaborative Innovation Center of Advanced Drug Delivery System and Biotech Drugs in Universities of Shandong, School of Pharmacy, Yantai University, No. 30, Qingquan Road, Laishan District, Yantai, 264005, China. ^[1]

关键词 Chirality Deep learning Drug discovery Scaffold USRCAT

DOI 10.1002/minf.202200088

PMID 36031563

发布时间 2022-12-21

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