An Uncertainty-Guided Deep Learning Method Facilitates Rapid Screening of CYP3A4 Inhibitors-Reference-Cited by-同舟云学术

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An Uncertainty-Guided Deep Learning Method Facilitates Rapid Screening of CYP3A4 Inhibitors

Published:2023-12-06 Issue:24 Volume:63 Page:7699-7710
ISSN:1549-9596
Container-title:Journal of Chemical Information and Modeling
language:en
Short-container-title:J. Chem. Inf. Model.

Author:

Wang Ruixuan¹,Liu Zhikang²,Gong Jiahao¹,Zhou Qingping²^ORCID,Guan Xiaoqing¹^ORCID,Ge Guangbo¹^ORCID

Affiliation:

1. Shanghai Frontiers Science Center of TCM Chemical Biology, Institute of Interdisciplinary Integrative Medicine Research, Shanghai University of Traditional Chinese Medicine, Shanghai 201203, China

2. School of Mathematics and Statistics, Central South University, Changsha 410083, China

Funder

Natural Science Foundation of Hunan Province

National Natural Science Foundation of China

Shanghai Municipal Health Commission

Innovation Team and Talents Cultivation Program of National Administration of Traditional Chinese Medicine

Publisher

American Chemical Society (ACS)

Subject

Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry

Link

https://pubs.acs.org/doi/pdf/10.1021/acs.jcim.3c01241

Reference70 articles.

1. Cytochrome P450 Enzymes and Drug Metabolism in Humans

2. Pharmacogenomics: Translating Functional Genomics into Rational Therapeutics

3. Cytochrome P450s and other enzymes in drug metabolism and toxicity

4. Oxidation of toxic and carcinogenic chemicals by human cytochrome P-450 enzymes

5. Interactions between CYP3A4 and Dietary Polyphenols

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