In silico predictive toxicology: the state-of-the-art and strategies to predict human health effects.
In silico predictive toxicology techniques are a fast and cost-efficient alternative or supplement to bioassays for the identification of toxic effects at an early stage of drug development. This review provides a conceptual description of the most important in silico prediction techniques and presents exemplary strategies for the prediction of human health effects. Special emphasis will be given to validation issues and the performance of models for human health-related effects.
Helma
Christoph
C
University of Freiburg, Institute for Computer Science, D-79110 Freiburg, Germany. helma@informatik.uni-freiburg.de
D000818:Animals; D003198:Computer Simulation; D064420:Drug-Related Side Effects and Adverse Reactions; D006801:Humans; D008958:Models, Molecular; D011237:Predictive Value of Tests; D015203:Reproducibility of Results; D014116:Toxicology / Q000639:trends*