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Welcome to the VFLib wiki!

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VFLib code can be used to find/perform substructure.

The algorithm is described in
Cordella, L.P.; Foggia, P.; Sansone, C.; Vento, M.
“A (sub)graph isomorphism algorithm for matching large graphs”
Pattern Analysis and Machine Intelligence, IEEE Transactions on
Volume 26, Issue 10, Oct. 2004 Page(s):1367 – 1372

The original code was taken from http://metamolecular.com/mx and modified by
Syed Asad Rahman (asad@ebi.ac.uk)

This code require Chemistry Development Kit (CDK http://cdk.git.sourceforge.net)

Wish you a happy coding!

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Name: Syed Asad Rahman

Contact: asad@ebi.ac.uk
Please cite:

S. A. Rahman, M. Bashton, G. L. Holliday, R. Schrader and J. M. Thornton, Small Molecule Subgraph Detector (SMSD) toolkit, Journal of Cheminformatics 2009, 1:12. DOI:10.1186/1758-2946-1-12
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