Generation of molecular graphs based on flexible utilization of the available structural information

DOI10.1016/0166-218X(95)00009-GzbMath0846.05086OpenAlexW2025245252WikidataQ99233805 ScholiaQ99233805MaRDI QIDQ1917318

Ivan P. Bangov

Publication date: 29 September 1996

Published in: Discrete Applied Mathematics (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1016/0166-218x(95)00009-g

zbMATH Keywords

automorphismadjacency matrixisomorphism problemcolored graphsmolecular graphschemical structuregraph-generation schemesnumbered graphsterical isomers

Mathematics Subject Classification ID

Applications of graph theory (05C90) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Uses Software

• MOLGEN

Cites Work

• The graph isomorphism disease
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