Hi,
I am using Class RTools of UniversalIsomorphismTester of Java CDK for structure comparison to find maximal common substructure, find the mapping of a substructure in another structure, and the mapping of 2 isomorph structure.
The RTools algorithm derives from the algorithm described in "Machine Learning of of generic Reactions : 3. An efficient Algorithm for Maximal Common Substructure determination" C. Tonnelier, Ph. Jauffret, T. Hanser and G. Kaufmann. Tetrahedron Vol. 3, No 6, pp. 351-358, 1990.
Within this context, it would be highly appreciable if some one can explain the algorithm that how the mapping has been done
PS: I do not have the access (neither online, nor hard copy) to the research article mentioned above, so it will great if some one can send across the paper.
Thanks and Regards
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Sneha J
Bioinformatics Center,
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Sneha J
Bioinformatics Center,
University of Pune
Pune
