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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).
Features
- Maximum Common Subgraph (MCS)
- Common Subgraph
- Substructure
- Java
- Library
- Small Molecule
- Chemo-informatics
- Substructure Search
- Similarity Search
- Tanimoto
- Virtual Screening
- Drug
Project Samples
License
Creative Commons Attribution LicenseFollow SMSD
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