Metabolic Forest: Predicting the Diverse Structures of Drug Metabolites
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DOI: 10.1021/acs.jcim.0c00360
Abstract: Adverse drug metabolism often severely impacts patient morbidity and mortality. Unfortunately, drug metabolism experimental assays are costly, inefficient, and slow. Instead, computational modeling could rapidly flag potentially toxic molecules across thousands of candidates in the… read more here.
Keywords: metabolic forest; quinone; metabolism; drug metabolites ... See more keywords