asad / VFLib

CDK compatible VF library for substructure and MCS search

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VFLib /
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file LICENSE.txt Mon Aug 10 12:26:30 -0700 2009 Citation [asad]
file README Mon Aug 10 12:29:14 -0700 2009 citation [asad]
file build.xml Fri Jun 26 02:53:42 -0700 2009 build options [Asad]
directory dist/ Thu Jul 23 16:50:54 -0700 2009 Latest VFlib2 stable build [Asad]
directory lib/ Sun Jun 28 16:24:48 -0700 2009 added lib and removed build [Asad]
file manifest.mf Fri Jun 26 02:53:42 -0700 2009 build options [Asad]
directory nbproject/ Thu Jul 23 16:46:01 -0700 2009 Cleaned the code and improvised the MCS lib (bu... [Asad]
directory src/ Mon Sep 14 13:23:13 -0700 2009 Fixed unsaturation matches [asad]
README
****************************************************************
VFLib code can be used to find/perform Maximum Common Subgraph (MCS) 
or Substructure searches based on Graph (Sub)-Isomorphism.
****************************************************************

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 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