Cronin Mark T D, Jaworska Joanna S, Walker John D, Comber Michael H I, Watts Christopher D, Worth Andrew P
School of Pharmacy and Chemistry, Liverpool John Moores University, Liverpool, England.
Environ Health Perspect. 2003 Aug;111(10):1391-401. doi: 10.1289/ehp.5760.
This article is a review of the use of quantitative (and qualitative) structure-activity relationships (QSARs and SARs) by regulatory agencies and authorities to predict acute toxicity, mutagenicity, carcinogenicity, and other health effects. A number of SAR and QSAR applications, by regulatory agencies and authorities, are reviewed. These include the use of simple QSAR analyses, as well as the use of multivariate QSARs, and a number of different expert system approaches.
本文综述了监管机构运用定量(和定性)构效关系(QSARs和SARs)来预测急性毒性、致突变性、致癌性及其他健康影响的情况。文中回顾了监管机构运用的一系列SAR和QSAR应用,包括简单QSAR分析的运用、多变量QSAR的运用以及一些不同的专家系统方法。