General Information
| Description | Web server for in silico prediction of sites of metabolism for drug-like compounds |
| Homepage | http://www.way2drug.com/SOMP |
Publications
SOMP: web server for in silico prediction of sites of metabolism for drug-like compounds
Summary:
A new freely available web server site of metabolism predictor to predict the sites of metabolism (SOM) based on the structural formula of chemicals has been developed. It is based on the analyses of ‘structure-SOM’ relationships using a Bayesian approach and labelled multilevel neighbourhoods of atoms descriptors to represent the structures of over 1000 metabolized xenobiotics. The server allows predicting SOMs that are catalysed by 1A2, 2C9, 2C19, 2D6 and 3A4 isoforms of cytochrome P450 and enzymes of the UDP-glucuronosyltransferase family. The average invariant accuracy of prediction that was calculated for the training sets (using leave-one-out cross-validation) and evaluation sets is 0.9 and 0.95, respectively.
Availability and implementation
: Freely available on the web at http://www.way2drug.com/SOMP.
Contact:
rudik_anastassia@mail.ru
Supplementary information:
Supplementary data are available at Bioinformatics online.
Related Tools
DIGEP-Pred
Published June 2013
Web service for in silico prediction of drug-induced gene expression profiles based on structural formula
RS-WebPredictor
Published December 2012
A server for predicting CYP-mediated sites of metabolism on drug-like molecules
Rtips
Published May 2012
Fast and accurate tools for RNA 2D structure prediction using integer programming
FAIR Evaluation
Sorry, you must be signed in to evaluate this object.
