Ontology highlight
ABSTRACT:
SUBMITTER: Dang NL
PROVIDER: S-EPMC5939911 | biostudies-literature | 2016 Oct
REPOSITORIES: biostudies-literature
Dang Na Le NL Hughes Tyler B TB Krishnamurthy Varun V Swamidass S Joshua SJ
Bioinformatics (Oxford, England) 20160620 20
<h4>Motivation</h4>Uridine diphosphate glucunosyltransferases (UGTs) metabolize 15% of FDA approved drugs. Lead optimization efforts benefit from knowing how candidate drugs are metabolized by UGTs. This paper describes a computational method for predicting sites of UGT-mediated metabolism on drug-like molecules.<h4>Results</h4>XenoSite correctly predicts test molecule's sites of glucoronidation in the Top-1 or Top-2 predictions at a rate of 86 and 97%, respectively. In addition to predicting co ...[more]