Computing bond orders in molecule graphs

DOI10.1016/J.TCS.2010.12.063MaRDI QIDQ631782zbMATH OpenOpenAlexFDO

Authors Q.-B. Bui, Sebastian Böcker, Anke Truss

Publication date 14 March 2011

Published in Theoretical Computer Science (Search for Journal in Brave)

Full work available at URL https://doi.org/10.1016/j.tcs.2010.12.063

zbMATH Keywords

bioinformaticsfixed-parameter tractabilityNP-hardtree decompositionFPTbond order assignmentMAX SNP-hard

Mathematics Subject Classification ID

Information storage and retrieval of data (68P20) Biochemistry, molecular biology (92C40) Analysis of algorithms and problem complexity (68Q25) Graph theory (including graph drawing) in computer science (68R10) Dynamic programming (90C39) Database theory (68P15) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

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Cites work

• scientific article; zbMATH DE number 1161563 (Why is no real title available?)
• scientific article; zbMATH DE number 2234775 (Why is no real title available?)
• A partial k-arboretum of graphs with bounded treewidth
• Complexity of Finding Embeddings in a k-Tree
• Computational complexity of some restricted instances of 3-SAT
• Graph minors. II. Algorithmic aspects of tree-width
• Optimization, approximation, and complexity classes
• Proof verification and the hardness of approximation problems
• Treewidth. Computations and approximations

Cited in

(2)

• Enumerating and indexing many-body intramolecular interactions: a graph theoretic approach
• Computing Bond Types in Molecule Graphs

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