WhichCyp: prediction of cytochromes P450 inhibition.
Rostkowski M, Spjuth O, Rydberg P.
WhichCyp: prediction of cytochromes P450 inhibition..
Bioinformatics. 29, 16, 2051-2052. (2013). DOI: 10.1093/bioinformatics/btt325
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. 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.