Instituto de Investigaciones Fisicoquímicas Teóricas y Aplicadas (INIFTA), CONICET, UNLP, La Plata, Argentina.
SAR QSAR Environ Res. 2020 Feb;31(2):135-148. doi: 10.1080/1062936X.2019.1699602. Epub 2019 Dec 16.
The assessment of the environmental fate and (eco)toxicological effects of pesticide compounds is of crucial importance. The present review is focused on Quantitative Structure-Property Relationships (QSPR) applications on three environmentally relevant physicochemical properties of pesticides, which can be used for assessing their environmental partition and transport, as well as exposure potential namely water solubility, octanol-water partition coefficient and vapour pressure. This article revises various interesting QSPR applications with special emphasis on studies developed during the 2009-2019 period.
评估农药化合物的环境归宿和(生态)毒理学效应至关重要。本综述重点介绍了定量构效关系(QSPR)在农药的三种与环境相关的物理化学性质上的应用,这些性质可用于评估其环境分配和迁移以及暴露潜力,即水溶解度、辛醇-水分配系数和蒸气压。本文回顾了各种有趣的 QSPR 应用,特别强调了 2009-2019 年期间开展的研究。