SOMP - Site Of Metabolism Prediction
  • Home
  • Training Sets
  • Products/Services
  • Interpretation
  • Examples
  • Contacts
SMILES
Use Files
Use drug name
Marvin JS Editor




Examples:Ampicillin


SOMP is a web-service for in silico prediction of site of metabolism (SOM).

Prediction of sites of metabolism for drug-like compounds for (five major human) cytochrome P450s: CYP1A2, CYP2C9, CYP2C19, CYP2D6 and CYP3A4. Also in the training set were included the sites of glucoronidation, catalyzed by UGT.

Prediction is based on PASS (Prediction of Activity Spectra for Substances) technology (http://www.way2drug.com/PASSonline) and LMNA descriptors.

Use SMILES, MOL file or Marvin JS for input data on a structure of test compound.

The development of web-service was supported by Russian Scientific Foundation grant 14-15-00449