Automatic mapping of atoms across both simple and complex chemical reactions
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DOI: 10.1038/s41467-019-09440-2
Abstract: Mapping atoms across chemical reactions is important for substructure searches, automatic extraction of reaction rules, identification of metabolic pathways, and more. Unfortunately, the existing mapping algorithms can deal adequately only with relatively simple reactions but… read more here.
Keywords: atoms across; mapping atoms; chemical; chemical reactions ... See more keywords