期刊
BIOINFORMATICS
卷 29, 期 4, 页码 497-498出版社
OXFORD UNIV PRESS
DOI: 10.1093/bioinformatics/bts705
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类别
资金
- NIH [1P20HG003899-01, R01LM009731]
- ONR [N00014-06-1-0014]
- Lhasa Ltd
- Patholology and Immunology Department at Washington University
- GlaxoSmithKline
Regioselectivity-WebPredictor (RS-WebPredictor) is a server that predicts isozyme-specific cytochrome P450(CYP)-mediated sites of metabolism(SOMs) on drug-like molecules. Predictions may be made for the promiscuous 2C9, 2D6 and 3A4 CYP isozymes, as well as CYPs 1A2, 2A6, 2B6, 2C8, 2C19 and 2E1. RS-WebPredictor is the first freely accessible server that predicts the regioselectivity of the last six isozymes. Server execution time is fast, taking on average 2s to encode a submitted molecule and 1s to apply a given model, allowing for high-throughput use in lead optimization projects.
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