Author(s): Raymond JW, Willett P
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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.
This article was published in J Comput Aided Mol Des
and referenced in Journal of Computer Science & Systems Biology