Articles with "atom mappings" as a keyword



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Comparative evaluation of atom mapping algorithms for balanced metabolic reactions: application to Recon 3D

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Published in 2017 at "Journal of Cheminformatics"

DOI: 10.1186/s13321-017-0223-1

Abstract: The mechanism of each chemical reaction in a metabolic network can be represented as a set of atom mappings, each of which relates an atom in a substrate metabolite to an atom of the same… read more here.

Keywords: atom; metabolic reactions; mapping algorithms; atom mapping ... See more keywords