In silico prediction of UGT-mediated metabolism in drug-like molecules via graph neural network

被引：0
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作者：
Mengting Huang
Chaofeng Lou
Zengrui Wu
Weihua Li
Philip W. Lee
Yun Tang
Guixia Liu
机构：
[1] East China University of Science and Technology,Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism, School of Pharmacy
来源：
Journal of Cheminformatics | / 14卷
关键词：
UDP-glucuronosyltransferases; Enzyme; Drug metabolism; Glucuronidation; Phase II metabolism; Graph neural network; Weisfeiler-Lehman Networks; Consensus models; Substrate prediction; SOM prediction;
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