Modeling of Human Cytochrome P450-Mediated Drug Metabolism Using Unsupervised Machine Learning Approach
Author:
Affiliation:
1. GeneGo, Inc., 227 South Berrien Street, New Buffalo, Michigan 49117, and Chemical Diversity Labs, Inc., 11558 Sorrento Valley Road, San Diego, California 92121
Publisher
American Chemical Society (ACS)
Subject
Drug Discovery,Molecular Medicine
Link
https://pubs.acs.org/doi/pdf/10.1021/jm030102a
Reference47 articles.
1. (a) Darvas, F. MetabolExpert: an Expert System for Predicting the Metabolism of Substances. InQSAR in Environmental Toxicology II; Kaiser, K. L., Ed.; Reidel Co. Dordrecht, 1987; pp 71−81.
2. (b) Darvas, F.; Marokházi, S.; Kormos, P.; Kulkarni, G.; Kalász, H.; Papp, Á. MetabolExpert: Its Use in Metabolism Research and in Combinatorial Chemistry. InDrug Metabolism.Databases and High-Throughput TestingDuring Drug Design and Development; Erhardt, P. W., Ed.; Blackwell Science Ltd., 1999; pp 237−270.
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