Heuristics for Similarity Searching of Chemical Graphs Using a Maximum Common Edge Subgraph Algorithm
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- 9 February 2002
- journal article
- research article
- Published by American Chemical Society (ACS) in Journal of Chemical Information and Computer Sciences
- Vol. 42 (2), 305-316
- https://doi.org/10.1021/ci010381f
Abstract
No abstract availableKeywords
This publication has 17 references indexed in Scilit:
- Matching hierarchical structures using association graphsIEEE Transactions on Pattern Analysis and Machine Intelligence, 1999
- Chemical Similarity SearchingJournal of Chemical Information and Computer Sciences, 1998
- On the Properties of Bit String-Based Measures of Chemical SimilarityJournal of Chemical Information and Computer Sciences, 1998
- A New Algorithm for Exhaustive Ring Perception in a Molecular GraphJournal of Chemical Information and Computer Sciences, 1996
- A review and examination of the mathematical spaces underlying molecular similarity analysisJournal of Mathematical Chemistry, 1989
- Analysis of geodesic lenses by beam propagation methodElectronics Letters, 1980
- Structure elucidation with lanthanide-induced shifts. 2. Conformational analysis of cyclohexanecarbonitrileJournal of the American Chemical Society, 1977
- An Algorithm for Subgraph IsomorphismJournal of the ACM, 1976
- Generation of simple paths of graph by decompositionElectronics Letters, 1974
- Congruent Graphs and the Connectivity of GraphsAmerican Journal of Mathematics, 1932