In silico prediction of chemically induced mutagenicity : How to use QSAR models and interpret their results

Enrico Mombelli (1) , Giuseppa Raitano , Emilio Benfenati

1 INERIS - Institut National de l'Environnement Industriel et des Risques

Information on genotoxicity is an essential piece of information gathering for a comprehensive toxicological characterization of chemicals. Several QSAR models that can predict Ames genotoxicity are freely available for download from the Internet and they can provide relevant information for the toxicological profiling of chemicals. Indeed, they can be straightforwardly used for predicting the presence or absence of genotoxic hazards associated with the interactions of chemicals with DNA. Nevertheless, and despite the ease of use of these models, the scientific challenge is to assess the reliability of information that can be obtained from these tools. This chapter provides instructions on how to use freely available QSAR models and on how to interpret their predictions.

Mots clés: MUTAGENICITY; AMES TEST; QSAR; PREDICTIVE RELIABILITY; STRUCTURAL ALERTS

Domaines: Toxicologie

Enrico Mombelli, Giuseppa Raitano, Emilio Benfenati. In silico prediction of chemically induced mutagenicity : How to use QSAR models and interpret their results. BENFENATI, Emilio. In Silico Methods for Predicting Drug Toxicity, 1425, Springer, pp.87-105, 2016, Methods in Molecular Biology, 9781493936076. ⟨10.1007/978-1-4939-3609-0_5⟩. ⟨ineris-01854229⟩