SMSD (Small Molecule Subgraph Detector)
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Scan day: 09 February 2014 UTC
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Description: SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This will aid finding resemblances between two molecules and is also used for screening drug-like compounds.
Small Molecule Subgraph Detector (SMSD) View the latest EBI news stories and important announcements... SMSD is a Java based software library for calculating Maximum Common Subgraph (MCS) between small molecules. This enables 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).
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| Page title: | Small Molecule Subgraph Detector (SMSD) |
| Keywords: | SMSD, MCS, Maximum Common Subgraph, Maximum Common Substructure, MDL Mol, Tanimoto, Euclidean, Distance, Similarity, Drug, Screening, HTS, Chemoinformatics, CDK, The European Bioinformatics Institute, Java |
| Description: | Small Molecule Subgraph Detector (SMSD) is a fast, robust and chemically sensitive tool to find maximum common subgraph (substructure) between small molecules. |
| IP-address: | 193.62.192.80 |