Step-by-step calculation of all maximum common substructures through a constraint satisfaction based algorithm.
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< or =n) in which the vectors representing the matched graphs can be defined.
Cerruela García
Gonzalo
G
Department of Computing and Numerical Analysis, University of Córdoba, Campus Universitario de Rabanales, Building C2, Plant 3, E-14071 Córdoba, Spain.
Luque Ruiz
Irene
I
Gómez-Nieto
Miguel Angel
MA