Wang Yingwei, Wang Lu, Li Yufei
Colleges of Forestry, Northeast Forestry University, 26 Hexing Road, Harbin 150040, China.
Jilin Province Ecological Environmental Monitoring Centre, 813 Pudong Road, Changchun 130011, China.
Toxics. 2024 Dec 26;13(1):16. doi: 10.3390/toxics13010016.
Organophosphorus pesticides (OPs) have become one of the most widely used pesticides in Chinese agriculture; however, methods to identify potential restrictions on OPs molecules are lacking. Therefore, this study retrieved the OPs restriction list and constructed eight multi-class, multi-category machine learning models for OPs restrictions. Among these, the random forest (RF) model demonstrated excellent predictive performance, as it was successfully validated and applied. Potential environmental transformation products of OPs were obtained using EAWAG-BBD software, while toxicity indicators for the parent OPs and their transformation products were predicted with ADMETlab 3.0 software. This study found that unrestricted OPs, such as phorate, parathion, and chlorpyrifos, exhibited a high probability of toxicity. Additionally, the environmental transformation products of OPs posed similar comprehensive toxicity risks as the parent compounds. A special attention list for OPs was created based on the toxicity risks of unrestricted parent OPs and their transformation products, using standard deviation classification. Phorate and parathion were identified as OPs requiring special attention. This paper aims to provide an effective method for identifying the potential restriction levels of OPs and to propose an evaluation system that comprehensively considers the health risk, thereby supporting the improvement and optimization of management and usage strategies for OPs.
有机磷农药(OPs)已成为中国农业中使用最广泛的农药之一;然而,目前缺乏识别OPs分子潜在限制的方法。因此,本研究检索了OPs限制清单,并构建了八个用于OPs限制的多类别、多范畴机器学习模型。其中,随机森林(RF)模型表现出优异的预测性能,并成功得到验证和应用。使用EAWAG - BBD软件获得OPs的潜在环境转化产物,同时用ADMETlab 3.0软件预测母体OPs及其转化产物的毒性指标。本研究发现,甲拌磷、对硫磷和毒死蜱等未受限的OPs具有较高的毒性概率。此外,OPs的环境转化产物与母体化合物具有相似的综合毒性风险。基于未受限母体OPs及其转化产物的毒性风险,采用标准差分类法创建了一份OPs特别关注清单。甲拌磷和对硫磷被确定为需要特别关注的OPs。本文旨在提供一种识别OPs潜在限制水平的有效方法,并提出一个综合考虑健康风险的评估系统,从而支持OPs管理和使用策略的改进与优化。