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

DOI10.1007/S10601-022-09328-XzbMATH Open1498.92327OpenAlexW4281640210MaRDI QIDQ2079271FDOQ2079271

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

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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)

Cites Work

• Handbook of constraint programming.
• Title not available (Why is that?)
• Counting Perfect Matchings in Hexagonal Systems Associated with Benzenoids
• A constructive enumeration of fusenes and benzenoids
• Title not available (Why is that?)
• Improved Static Symmetry Breaking for SAT
• Topological aspects of benzenoids and coronoids, including ``snowflakes and ``laceflowers
• Title not available (Why is that?)
• The complexity of the Clar number problem and an exact algorithm

Uses Software

• Choco

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