Machine Learning Guided Atom Mapping of Metabolic Reactions
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DOI: 10.1021/acs.jcim.8b00434
Abstract: Atom mapping of a chemical reaction is a mapping between the atoms in the reactant molecules and the atoms in the product molecules. It encodes the underlying reaction mechanism and, as such, constitutes essential information… read more here.
Keywords: machine learning; learning guided; guided atom; reaction ... See more keywords