ReactionMap: An Efficient Atom-Mapping Algorithm for Chemical Reactions
Author:
Affiliation:
1. Institute for Genomics and Bioinformatics and School of Information and Computer Sciences, University of California, Irvine, California 92697, United States
2. Université Paris VII, Diderot, 75013 Paris, France
Publisher
American Chemical Society (ACS)
Subject
Library and Information Sciences,Computer Science Applications,General Chemical Engineering,General Chemistry
Link
https://pubs.acs.org/doi/pdf/10.1021/ci400326p
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3. Automatic reaction mapping and reaction center detection
4. Use of a maximum common subgraph algorithm in the automatic identification of ostensible bond changes occurring in chemical reactions
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