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

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Authors: German A. Preciat Gonzalez, Lemmer R. P. El Assal, Alberto Noronha, Ines Thiele, Hulda S. Haraldsdóttir, Ronan M. T. Fleming

Journal title: Journal of Cheminformatics

Journal number: 9/1

Journal publisher: Chemistry Central

Published year: 2017

DOI identifier: 10.1186/s13321-017-0223-1

ISSN: 1758-2946