Machine Learning Models to Predict Cytochrome P450 2B6 Inhibitors and Substrates
Author:
Affiliation:
1. Shanghai Frontiers Science Center of Optogenetic Techniques for Cell Metabolism, Shanghai Key Laboratory of New Drug Design, School of Pharmacy, East China University of Science and Technology, 130 Meilong Road, Shanghai 200237, China
Funder
National Key Research and Development Program of China
Shanghai Municipal Education Commission
National Natural Science Foundation of China
Publisher
American Chemical Society (ACS)
Subject
Toxicology,General Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/acs.chemrestox.3c00065
Reference61 articles.
1. Comprehensive characterization of cytochrome P450 isozyme selectivity across chemical libraries
2. CypReact: A Software Tool for in Silico Reactant Prediction for Human Cytochrome P450 Enzymes
3. Reactions and enzymes in the metabolism of drugs and other xenobiotics
4. Classification of Cytochrome P450 Inhibitors and Noninhibitors Using Combined Classifiers
5. Predictive Models for Cytochrome P450 Isozymes Based on Quantitative High Throughput Screening Data
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