Step-by-step calculation of all maximum common substructures through a constraint satisfaction based algorithm
Step-by-step calculation of all maximum common substructures through a constraint satisfaction based algorithm
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DOI：
10.1021/ci034167y
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发表时间：
2004-01-01
期刊：
影响因子：
--
通讯作者：
Gómez-Nieto, MA
中科院分区：
文献类型：
--
作者：
García, GC;Ruiz, IL;Gómez-Nieto, MA
In this paper we propose a new algorithm for subgraph isomorphism based on the representation of molecular structures as colored graphs and the representation of these graphs as vectors in n-dimensional spaces. The presented process that obtains all maximum common substructures is based on the solution of a constraint satisfaction problem defined as the common m-dimensional space (m less than or equal to n) in which the vectors representing the matched graphs can be defined.
