SuperPred -- target-prediction server
What you can do:
Drug classification and target prediction.
Highlights:
- The web-server translates a user-defined molecule into a structural fingerprint that is compared to about 6300 drugs, which are enriched by 7300 links to molecular targets of the drugs, derived through text mining followed by manual curation.
- Links to the affected pathways are provided.
- The similarity to the medical compounds is expressed by the Tanimoto coefficient that gives the structural similarity of two compounds.
- A similarity score higher than 0.85 results in correct ATC prediction for 81% of all cases.
- As the biological effect is well predictable, if the structural similarity is sufficient, the web-server allows prognoses about the medical indication area of novel compounds and to find new leads for known targets.
Keywords:
- drug classification
- target prediction
- compoung
Literature & Tutorials:
PubMed Link: SuperPred: drug classification and target prediction
This record last updated: 07-18-2008