TY - JOUR
AU - Breneman, Curt M.
AB - 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.Availability: RS-WebPredictor is accessible for free use at http://reccr.chem.rpi.edu/Software/RS-WebPredictor/Contact: brenec@rpi.edu
TI - RS-WebPredictor: a server for predicting CYP-mediated sites of metabolism on drug-like molecules
JO - Bioinformatics
DO - 10.1093/bioinformatics/bts705
DA - 2012-12-14
UR - https://www.deepdyve.com/lp/oxford-university-press/rs-webpredictor-a-server-for-predicting-cyp-mediated-sites-of-QDIe4qpBpA
SP - 497
EP - 498
VL - 29
IS - 4
DP - DeepDyve
ER -