农药环境风险评估中常用的计算毒理学模型软件

摘要

The great use of pesticides had caused seriously environmental and healthy problems. The traditional method, which just depends on biological testing and environmental monitoring, had been not able to meet the needs of pesticides risk assessment. The high-throughput risk assessment could be realized by computational toxi-cology models. In the article, some commonly-used and free QSAR model softwares, such as EPI Suite, QSAR Toolbox and PBT Profiler, and multimedia environmental model softwares, such as SCI-GROW, PRZM-GW, Chi-na-PEARL and EQC were introduced, which hopes to provide a reference to the risk assessment and scientific management of pesticides.%农药的大量使用为我国带来了严重的环境和健康问题,仅依靠传统生物测试和环境监测的方法已经不能满足农药风险评估的需要.利用计算毒理学模型,可以实现农药的高通量风险评估.本文主要介绍了农药环境风险评估中常用免费的EPI Suite、QSAR Toolbox和PBT Profiler等定量结构-活性关系(Quantitative Structure-Activity Relationship,QSAR)模型软件和SCI-GROW、PRZM-GW、China-PEARL和EQC等环境多介质模型软件,以期能为农药的风险评估和科学管理提供参考.