定量构效关系研究方法及其在环境科学中的应用  

The research methods of QSAR and its application in environmental science

作　　者：陶雪琴[1] 卢桂宁[2] 

机构地区：[1]仲恺农业技术学院环境科学与工程系,广东广州510225 [2]华南理工大学环境科学与工程学院,广东广州510640

出　　处：《仲恺农业技术学院学报》2008年第1期65-70,共6页Journal of Zhongkai Agrotechnical College

基　　金：国家留学基金(2007103564);广东省自然科学基金(05103552);仲恺农业技术学院博士科研启动基金(G2360240)资助项目

摘　　要：定量构效关系是一种非常有效的有机污染物环境活性预测手段,其核心是建立有机物结构与活性之间的函数关系.文章系统介绍了定量构效关系的发展历程及其研究方法,并以有机农药、多环芳烃、多氯联苯和苯取代物等典型环境有机污染物为例,对定量构效关系在环境科学中的应用进行了综述,最后对定量构效关系的发展趋势进行了展望.Quantitative structure-activity relationship （QSAR） is a powerful approach for predicting activities of organic pollutants with their structure descriptors. The core of QSAR study is to establish a functional equation between structure descriptors and activities of organic pollutants. In this paper, the development and common methods of QSAR were briefly introduced. The application of QSAR study in environmental sciences research were reviewed for some typical environmental organic pollutants, such as organic pesticides, polycyclic aromatic hydrocarbons （PAHs）, polychlorinated biphenyl （PCBs）, benzene derivatives. The prospect of QSAR was also forecasted.

关 键 词：定量构效关系 有机污染物 环境活性 

分 类 号：X13[环境科学与工程—环境科学]