Uridine diphosphate glucuronosyltransferases (UGTs) metabolize 15% of FDA approved drugs. Lead optimization efforts benefit from knowing how candidate drugs are metabolized by UGTs. The XenoSite UGT model predicts sites of UGT-mediated metabolism on drug-like molecules. In the training data, the sites of metabolism of 2839 UGT substrates are identified by our method with 86% (Top-1) and 97% (Top-2) accuracy.
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