README

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VFLib code can be used to find/perform Maximum Common Subgraph (MCS) 
or Substructure searches based on Graph (Sub)-Isomorphism.
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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 for VF2 substructure code was taken from http://metamolecular.com/mx and modified by
Syed Asad Rahman (asad@ebi.ac.uk). We have further modified VF2 for reporting MCS between two molecules.
The extended version of the VF2 for reporting MCS is called VF2MCSPlus.

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

The present code is part of the Small Molecule Subgraph Detector 
(SMSD http://www.ebi.ac.uk/thornton-srv/software/SMSD ) library.

If you use this software please <b>cite the paper and the (SMSD) URL</b> 

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

Wish you a happy coding!

Name: Syed Asad Rahman
Contact: asad@ebi.ac.uk