Improved algorithms for symmetry analysis: structure preserving permutations

DOI10.1007/S10910-017-0788-YMaRDI QIDQ1703408zbMATH OpenOpenAlexFDO

Authors Gil Alon, Inbal Tuvi-Arad

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)

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Cites work

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

Cited in

(2)

• Algorithmic symmetry classification with invariance
• Detection of the permutation symmetry in pattern sets

Describes a project that uses

Uses Software

• MOE

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