2002 MaximumCommonSubgraphIsomorphis
- (Raymond & Willett, 2002) ⇒ John W. Raymond, and Peter Willett. (2002). “Maximum Common Subgraph Isomorphism Algorithms for the Matching of Chemical Structures.” In: Journal of Computer-Aided Molecular Design, 16. doi:https://doi.org/10.1023/A:1021271615909
Subject Headings: Maximum Common Subgraph; Maximum Common Subgraph Algorithm; Maximum Common Subgraph Task; Maximum Common Subgraph System.
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Author Keywords
- Algorithm; Graph Matching; Graph Similarity; Isomorphism Algorithm; Maximum Common Subgraph; Maximum Common Substructure.
Abstract
The maximum common subgraph (MCS) problem has become increasingly important in those aspects of chemoinformatics that involve the matching of 2D or 3D chemical structures. This paper provides a classification and a review of the many MCS algorithms, both exact and approximate, that have been described in the literature, and makes recommendations regarding their applicability to typical chemoinformatics tasks.
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| Author | volume | Date Value | title | type | journal | titleUrl | doi | note | year | |
|---|---|---|---|---|---|---|---|---|---|---|
| 2002 MaximumCommonSubgraphIsomorphis | Peter Willett John W. Raymond | Maximum Common Subgraph Isomorphism Algorithms for the Matching of Chemical Structures | https://doi.org/10.1023/A:1021271615909 | 2002 |