RA is a web-service for in silico prediction of reacting atoms.

Prediction of sites of transformation for drug-like compounds for nine classes of reactions: aliphatic hydroxylation, aromatic hydroxylation, C-oxidation, N-oxidation, S-oxidation, N-glucuronidation, O-glucuronidation, N-dealkylation, O-dealkylation.

Prediction is based on PASS (Prediction of Activity Spectra for Substances) technology (http://www.way2drug.com/PASSonline), LMNA descriptors and the training set created on the basis of the major classes of biotransformation reactions, mediated by five human isoforms of cytochrome P450 and by all isoforms UDP-glucuronosyltransferase family.

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