a CTIS , Rillieux La Pape , France.
b Micalis Institute, INRA, University Paris-Saclay , Jouy-en-Josas , France.
SAR QSAR Environ Res. 2017 Nov;28(11):889-911. doi: 10.1080/1062936X.2017.1402449.
A suite of models is proposed for estimating the risk of pesticides against the grey partridge (Perdix perdix) and their clutches. Radio-tracked data of females, description and location of the clutches, and data on the pesticide treatments during the laying periods of the partridges were used as basic information. Quantitative structure-activity relationship (QSAR) and quantitative structure-property relationship (QSPR) modelling allowed us to characterize the pesticides by their 1-octanol/water partition coefficient (log P), vapour pressure, primary and ultimate biodegradation potential, acute toxicity (LD) on P. perdix, and endocrine disruption potential. From these physicochemical and toxicological data, the system of integration of risk with interaction of scores (SIRIS) method was used to design scores of risk for pesticides, alone or in mixture. A program, written in R (version 3.1.1), called Simulation of Toxicity in Perdix perdix (SimToxPP), was designed for estimating the risk of substances, considered alone or in mixture, against the grey partridge during breeding. The software tool is flexible enough to simulate realistic in situ scenarios. Different examples of applications are shown. The advantages and limitations of the approach are briefly discussed.
提出了一套模型,用于估计农药对灰斑鸠(Perdix perdix)及其卵的风险。使用了无线电跟踪的雌性数据、卵的描述和位置,以及在灰斑鸠产卵期间的农药处理数据作为基本信息。定量构效关系(QSAR)和定量构效关系(QSPR)建模允许我们用 1-辛醇/水分配系数(log P)、蒸气压、初级和最终生物降解潜力、对灰斑鸠的急性毒性(LD)和内分泌干扰潜力来描述农药。从这些物理化学和毒理学数据中,使用系统的集成风险与相互作用评分(SIRIS)方法来设计农药的风险评分,无论是单独使用还是混合使用。设计了一个名为 Simulation of Toxicity in Perdix perdix(SimToxPP)的 R(版本 3.1.1)程序,用于估计在繁殖期间,单独或混合使用的物质对灰斑鸠的毒性风险。该软件工具具有足够的灵活性,可以模拟真实的现场情况。展示了不同的应用示例。简要讨论了该方法的优缺点。