{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2026,5,21]],"date-time":"2026-05-21T05:16:57Z","timestamp":1779340617093,"version":"3.51.4"},"reference-count":6,"publisher":"Oxford University Press (OUP)","issue":"4","content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":[],"published-print":{"date-parts":[[2013,2,15]]},"abstract":"<jats:title>Abstract<\/jats:title>\n               <jats:p>Summary: 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.<\/jats:p>\n               <jats:p>Availability: RS-WebPredictor is accessible for free use at http:\/\/reccr.chem.rpi.edu\/Software\/RS-WebPredictor\/<\/jats:p>\n               <jats:p>Contact: \u00a0brenec@rpi.edu<\/jats:p>","DOI":"10.1093\/bioinformatics\/bts705","type":"journal-article","created":{"date-parts":[[2012,12,16]],"date-time":"2012-12-16T01:19:48Z","timestamp":1355620788000},"page":"497-498","source":"Crossref","is-referenced-by-count":58,"title":["RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules"],"prefix":"10.1093","volume":"29","author":[{"given":"Jed","family":"Zaretzki","sequence":"first","affiliation":[{"name":"1 Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA, 2Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA, 3Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY 12208, USA and 4Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen, Denmark"},{"name":"1 Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA, 2Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA, 3Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY 12208, USA and 4Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Charles","family":"Bergeron","sequence":"additional","affiliation":[{"name":"1 Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA, 2Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA, 3Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY 12208, USA and 4Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Tao-wei","family":"Huang","sequence":"additional","affiliation":[{"name":"1 Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA, 2Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA, 3Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY 12208, USA and 4Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Patrik","family":"Rydberg","sequence":"additional","affiliation":[{"name":"1 Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA, 2Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA, 3Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY 12208, USA and 4Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"S. Joshua","family":"Swamidass","sequence":"additional","affiliation":[{"name":"1 Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA, 2Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA, 3Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY 12208, USA and 4Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]},{"given":"Curt M.","family":"Breneman","sequence":"additional","affiliation":[{"name":"1 Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA, 2Department of Chemistry and Chemical Biology, Rensselaer Polytechnic Institute, Troy, NY 12180, USA, 3Department of Basic and Social Sciences, Albany College of Pharmacy and Health Sciences, Albany, NY 12208, USA and 4Department of Drug Design and Pharmacology, University of Copenhagen, DK-2100 Copenhagen, Denmark"}],"role":[{"role":"author","vocabulary":"crossref"}]}],"member":"286","published-online":{"date-parts":[[2012,12,14]]},"reference":[{"key":"2023012810250829000_bts705-B1","doi-asserted-by":"crossref","first-page":"1068","DOI":"10.1109\/TPAMI.2011.194","article-title":"Fast bundle algorithm for multiple-instance learning","volume":"34","author":"Bergeron","year":"2012","journal-title":"IEEE Trans Pattern Anal Mach Intell."},{"key":"2023012810250829000_bts705-B2","doi-asserted-by":"crossref","first-page":"617","DOI":"10.1021\/ci200542m","article-title":"Computational prediction of metabolism: sites, products, SAR, P450 enzyme dynamics, and mechanisms","volume":"52","author":"Kirchmair","year":"2012","journal-title":"J. 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