Efficient enumeration of stereoisomers of tree structured molecules using dynamic programming

DOI10.1007/S10910-010-9789-9zbMATH Open1221.92085OpenAlexW2068237573MaRDI QIDQ535320FDOQ535320

Tomoki Imada, Tatsuya Akutsu, Hiroshi Nagamochi, Shunsuke Ota

Publication date: 11 May 2011

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

Full work available at URL: https://doi.org/10.1007/s10910-010-9789-9

Recommendations

• Enumerating Stereoisomers of Tree Structured Molecules Using Dynamic Programming
• Enumerating stereo-isomers of tree-like polyinositols
• Chemical trees enumeration algorithms
• Matrix representation of stereoisomers and new polygonal stereoisograms
• Enumeration and 3D representation of the stereo-isomers of alkane molecules

zbMATH Keywords

stereoisomerschemical enumeration

Mathematics Subject Classification ID

Applications of graph theory (05C90) Trees (05C05) Dynamic programming (90C39) Molecular structure (graph-theoretic methods, methods of differential topology, etc.) (92E10)

Cites Work

• On an algorithm of Zemlyachenko for subtree isomorphism
• Kombinatorische Anzahlbestimmungen für Gruppen, Graphen und chemische Verbindungen
• The Enumeration of Locally Restricted Graphs (II)

Cited In (8)

• Title not available (Why is that?)
• Enumeration and 3D representation of the stereo-isomers of alkane molecules
• Enumerating DNA polyhedral links
• COOMA: A Components Overlaid Mining Algorithm for Enumerating Connected Subgraphs with Common Itemsets
• Unranking of small combinations from large sets
• Treelet kernel incorporating cyclic, stereo and inter pattern information in chemoinformatics
• Title not available (Why is that?)
• Enumerating Stereoisomers of Tree Structured Molecules Using Dynamic Programming

This page was built for publication: Efficient enumeration of stereoisomers of tree structured molecules using dynamic programming

Report a bug (only for logged in users!)Click here to report a bug for this page (MaRDI item Q535320)