Predicting drug-induced hepatotoxicity using QSAR and toxicogenomics approaches.

ABSTRACT: Quantitative structure-activity relationship (QSAR) modeling and toxicogenomics are typically used independently as predictive tools in toxicology. In this study, we evaluated the power of several statistical models for predicting drug hepatotoxicity in rats using different descriptors of drug molecules, namely, their chemical descriptors and toxicogenomics profiles. The records were taken from the Toxicogenomics Project rat liver microarray database containing information on 127 drugs ( http://toxico.nibio.go.jp/datalist.html ). The model end point was hepatotoxicity in the rat following 28 days of continuous exposure, established by liver histopathology and serum chemistry. First, we developed multiple conventional QSAR classification models using a comprehensive set of chemical descript

SUBMITTER: Low Y 

PROVIDER: S-EPMC4281093 | biostudies-literature | 2011 Aug

REPOSITORIES: biostudies-literature