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Welcome to your wiki!
This is the default page, edit it as you see fit. To add a new page simply reference it within brackets, e.g.: [SamplePage].
The wiki uses Markdown syntax.
SMSD (Small Molecule Subgraph Detector)
SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will help us to find similarity/distance between two molecules. MCS is also used for screening drug like compounds by hitting molecules, which share common subgraph (substructure).
Kindly support the SMSD by citing the following publication :
S. Asad 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
The latest SMSD source code is available via github.
Last edit: Asad 2013-02-01