ProTox: a web server for the in silico prediction of rodent oral toxicity.

ABSTRACT: Animal trials are currently the major method for determining the possible toxic effects of drug candidates and cosmetics. In silico prediction methods represent an alternative approach and aim to rationalize the preclinical drug development, thus enabling the reduction of the associated time, costs and animal experiments. Here, we present ProTox, a web server for the prediction of rodent oral toxicity. The prediction method is based on the analysis of the similarity of compounds with known median lethal doses (LD50) and incorporates the identification of toxic fragments, therefore representing a novel approach in toxicity prediction. In addition, the web server includes an indication of possible toxicity targets which is based on an in-house collection of protein-ligand-based pharmacophore

SUBMITTER: Drwal MN 

PROVIDER: S-EPMC4086068 | biostudies-literature | 2014 Jul

REPOSITORIES: biostudies-literature