title: RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules.
abstract: CONCLUSIONS
  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.
  
  
  BACKGROUND
  RS-WebPredictor is accessible for free use at http://reccr.chem.rpi.edu/Software/RS-WebPredictor/
authors.affiliation: Department of Pathology and Immunology, Washington University School of Medicine, St. Louis, MO 63130, USA.
authors.forename: Jed
authors.initials: J
authors.lastname: Zaretzki
authors.forename: Charles
authors.initials: C
authors.lastname: Bergeron
authors.forename: Tao-wei
authors.initials: TW
authors.lastname: Huang
authors.forename: Patrik
authors.initials: P
authors.lastname: Rydberg
authors.forename: S Joshua
authors.initials: SJ
authors.lastname: Swamidass
authors.forename: Curt M
authors.initials: CM
authors.lastname: Breneman
mesh_terms: D000465:Algorithms; D002936:Cinnarizine / Q000737:chemistry / Q000378:metabolism; D003577:Cytochrome P-450 Enzyme System / Q000378:metabolism*; D007527:Isoenzymes / Q000378:metabolism; D012984:Software
chemical_list: D007527:Isoenzymes; D002936:Cinnarizine; D003577:Cytochrome P-450 Enzyme System