How constraint programming can help chemists to generate benzenoid structures and assess the local aromaticity of benzenoids

DOI10.1007/S10601-022-09328-XMaRDI QIDQ2079271zbMATH OpenOpenAlexFDO

Authors Yannick Carissan, Denis Hagebaum-Reignier, Nicolas Prcovic, Cyril Terrioux, Adrien Varet

Publication date 29 September 2022

Published in Constraints (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1007/s10601-022-09328-x

zbMATH Keywords

constraint programmingmodelingtheoretical chemistrygraph variables and constraints

Mathematics Subject Classification ID

Programming involving graphs or networks (90C35) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10) Chemical graph theory (05C92)

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Cites work

• scientific article; zbMATH DE number 3001568 (Why is no real title available?)
• scientific article; zbMATH DE number 3326387 (Why is no real title available?)
• scientific article; zbMATH DE number 3197023 (Why is no real title available?)
• A constructive enumeration of fusenes and benzenoids
• Counting Perfect Matchings in Hexagonal Systems Associated with Benzenoids
• Handbook of constraint programming.
• Improved static symmetry breaking for SAT
• The complexity of the Clar number problem and an exact algorithm
• Topological aspects of benzenoids and coronoids, including ``snowflakes and ``laceflowers

Describes a project that uses

Uses Software

• Choco

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