Summary: Cytochrome P450 enzymes (P450s) are metabolic enzymes that process the majority of FDA-approved, small-molecule drugs. Understanding how these enzymes modify molecule structure is key to the development of safe, effective drugs. XenoSite server is an online implementation of the XenoSite, a recently published computational model for P450 metabolism. XenoSite predicts which atomic sites of a molecule—sites of metabolism (SOMs)—are modified by P450s. XenoSite server accepts input in common chemical file formats including SDF and SMILES and provides tools for visualizing the likelihood that each atomic site is a site of metabolism for a variety of important P450s, as well as a flat file download of SOM predictions. Availability and implementation: XenoSite server is available at http://swami.wustl.edu/xenosite.
['Matthew Matlock', 'Tyler B. Hughes', 'Swamidass Sj']
XenoSite server: a web-available site of metabolism prediction tool