Improved algorithms for symmetry analysis: structure preserving permutations

DOI10.1007/S10910-017-0788-YzbMath1381.92106OpenAlexW2750519423MaRDI QIDQ1703408

Inbal Tuvi-Arad, Gil Alon

Publication date: 2 March 2018

Published in: Journal of Mathematical Chemistry (Search for Journal in Brave)

Full work available at URL: https://doi.org/10.1007/s10910-017-0788-y

zbMATH Keywords

permutationschiralitygraph automorphismcontinuous symmetry measuresQSAR descriptors

Mathematics Subject Classification ID

Graph algorithms (graph-theoretic aspects) (05C85) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Uses Software

• MOE

Cites Work

• A new measure of symmetry and its application to classification of bifurcating structures
• Determining symmetry changes during a chemical reaction: the case of diazene isomerization
• QSAR and the ultimate molecular descriptor: The shape of electron density clouds
• Chirality and symmetry measures: a transdisciplinary review

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