Faster reaction mapping through improved naming techniques

DOI10.1145/2532569MaRDI QIDQ5178745zbMATH OpenOpenAlexFDO

Authors Tina M. Kouri, Dinesh Mehta

Publication date 16 March 2015

Published in ACM Journal of Experimental Algorithmics (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1145/2532569

zbMATH Keywords

cheminformaticsconstructive count vector algorithmreaction mechanisms

Mathematics Subject Classification ID

Nonnumerical algorithms (68W05) Classical flows, reactions, etc. in chemistry (92E20)

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(2)

• Random models and analyses for chemical graphs
• Automated reaction mapping

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