1 Department of Drug Design and Pharmacology, Faculty of Pharmaceutical Sciences, Københavns Universitet2 Biostructural Research, Department of Drug Design and Pharmacology, Faculty of Health and Medical Sciences, Københavns Universitet3 Department of Chemistry, Faculty of Science, Københavns Universitet4 Uppsala University5 Department of Chemistry, Faculty of Science, Københavns Universitet6 Uppsala University7 Department of Drug Design and Pharmacology, Faculty of Pharmaceutical Sciences, Københavns Universitet
prediction of cytochromes P450 inhibition
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: firstname.lastname@example.org SUPPLEMENTARY INFORMATION: Supplementary data are available at Bioinformatics online.
Bioinformatics, 2013, Vol 29, Issue 16, p. 2051-2052