计算毒理学在农药风险评估中的应用

Application of Computational Toxicology in Risk Assessment of Pesticide

农药的大量使用可能会对人体健康和生态环境带来危害,传统的农药风险评估成本高、周期长,远远不能满足农药风险管理的需要,利用计算毒理学技术可以高通量识别农药的危害性,并能提高风险评估效率。本文介绍了计算毒理学的发展以及QSAR和多介质环境逸度模型理论、技术方法及在农药风险评估中的应用,并以啶酰茵胺为例,运用EPI Suite和KABAM 2个模型预测了其鱼类生物富集因子(BCF),以期为我国农药的风险评估提供参考。

The extensive use of pesticides may bring harm to human health and environment. The traditional risk assessment of pesticide is of high cost and long cycle, which cant meet the needs of pesticide risk management. The technology of Computational Toxicology can be used to identify the hazards of pesticides by high - throughput screening, which can improve the efficiency of risk assessment. The article introduced the development of computational toxicology, the theory and methods of QSAR and multimedia environmental models, and the applications in risk assessment of pesticide. In addition, taking boscalid as an example, its BCF was predicted by using both EPI Suite and KABAM models. It＇ s expected to provide reference for pesticide risk assessment in China.