Wichard Jörg D
Bayer Pharma AG, Genetic Toxicology, Müllerstr. 178, D-13353, Berlin, Germany.
Food Chem Toxicol. 2017 Aug;106(Pt B):595-599. doi: 10.1016/j.fct.2016.12.013. Epub 2016 Dec 12.
The in silico prediction of genotoxicity has made considerable progress during the last years. The main driver for the pharmaceutical industry is the ICH M7 guideline about the assessment of DNA reactive impurities. An important component of this guideline is the use of in silico models as an alternative approach to experimental testing. The in silico prediction of genotoxicity provides an established and accepted method that defines the first step in the assessment of DNA reactive impurities. This was made possible by the growing amount of reliable Ames screening data, the attempts to understand the activity pathways and the subsequent development of computer-based prediction systems. This paper gives an overview of how the in silico prediction of genotoxicity is performed under the ICH M7 guideline.
近年来，遗传毒性的计算机模拟预测取得了显著进展。制药行业的主要驱动力是关于DNA反应性杂质评估的ICH M7指南。该指南的一个重要组成部分是使用计算机模拟模型作为实验测试的替代方法。遗传毒性的计算机模拟预测提供了一种既定且被认可的方法，该方法定义了DNA反应性杂质评估的第一步。可靠的艾姆斯试验筛选数据量的不断增加、对活性途径的理解尝试以及随后基于计算机的预测系统的开发使得这成为可能。本文概述了在ICH M7指南下如何进行遗传毒性的计算机模拟预测。
