WhichCyp: prediction of cytochromes P450 inhibition
Michał Rostkowski, Ola Spjuth, Patrik Rydberg · Bioinformatics · 2013
Abstract Summary: In this work we present WhichCyp, a tool for prediction of which cytochromes P450 isoforms (among 1A2, 2C9, 2C19, 2D6 and 3A4) a given molecule is likely to inhibit. The models are built from experimental high-throughput data using support vector machines and molecular signatures. Availability: The WhichCyp server is freely available for use on the web at http://drug.ku.dk/whichcyp, where the WhichCyp Java program and source code is also available for download. Contact: [email protected] Supplementary information: Supplementary data are available at Bioinformatics online.