QSARs for Prioritizing PBT Substances to Promote Pollution Prevention

Lars Carlsen; John D. Walker

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QSARs for Prioritizing PBT Substances to Promote Pollution Prevention

机译：QSAR优先考虑PBT物质以促进污染预防

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The selection of Persistent, Bioaccumulative and Toxic (PBT) substances constitutes an important task in the possible regulation of chemicals. Due to the shortage of experimental data, Quantitative Structure Activity Relationship (QSAR) estimates for these endpoints appear as an attractive alternative. In the present study, biodegra-dation, bioaccumulation and aquatic toxicity estimates were obtained using the Bio Win, BCFWin and ECOSAR modules of the EPI suite. Partial order theory was used to rank QSAR-based PBT substances. The proposed approach is suggested as a decision support tool to facilitate subsequent pollution prevention activities by regulated and regulatory communities.

机译：持久性，生物蓄积性和有毒（PBT）物质的选择是对化学品进行可能管制的重要任务。由于缺乏实验数据，这些端点的定量结构活度关系（QSAR）估计值似乎是一种有吸引力的选择。在本研究中，使用EPI套件的Bio Win，BCFWin和ECOSAR模块获得了生物降解，生物蓄积和水生毒性估计值。使用偏序理论对基于QSAR的PBT物质进行排名。建议将建议的方法用作决策支持工具，以促进受监管和监管社区的后续污染预防活动。

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《QSAR & combinatorial science》 |2003年第1期|共9页
作者
Lars Carlsen; John D. Walker;
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原文格式 PDF
正文语种 eng
中图分类化学;
关键词
PBT criteria; EPI Suite; Partial Order Ranking; Hasse Diagram; Decision Support;

机译：PBT标准;EPI Suite;部分订单排名;Hasse图;决策支持;

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1. QSARs for Prioritizing PBT Substances to Promote Pollution Prevention [J] . Lars Carlsen, John D. Walker QSAR & combinatorial science . 2003,第1期

机译：QSAR优先考虑PBT物质以促进污染预防
2. Predicting PBT and CMR properties of substances of very high concern (SVHCs) using QSAR models, and application for K-REACH [J] . Joonsik Moon, Byongcheun Lee, Jin-Sung Ra, Toxicology Reports . 2020,第1期

机译：使用QSAR模型预测高度关注（SVHC）的物质的PBT和CMR性质，以及k到克雷的应用
3. Pollution Assessment of the Biobío River (Chile): Prioritization of Substances of Concern Under an Ecotoxicological Approach [J] . Alvaro Alonso, Ricardo Figueroa, Pilar Castro-Diez Environmental Management . 2017,第5期

机译：毕奥比奥河（智利）的污染评估：一种生态毒理学方法优先考虑的关注物质
4. THE ROLE OF INTERNATIONAL INSTRUMENTS IN ADDRESSING PREVENTION, PREPAREDNESS AND RESPONSE TO OIL POLLUTION AND THE EXTENSION OF THESE TO ADDRESS THE CHALLENGE OF HAZARDOUS AND NOXIOUS SUBSTANCES (HNS) [C] . Patricia Charlebois International oil spill conference (IOSC 2008) . 2008

机译：国际文书在预防，准备和应对油污中的作用以及为应对有害和有毒物质（HNS）的挑战而扩大的作用
5. Primary prevention for occupational health: Using the pollution prevention model to promote the integration of occupational and environmental health [D] . Armenti, Karla Rinker 2001

机译：职业健康的初级预防：使用污染预防模型促进职业健康与环境健康的融合
6. Predicting PBT and CMR properties of substances of very high concern (SVHCs) using QSAR models and application for K-REACH [O] . Joonsik Moon, Byongcheun Lee, Jin-Sung Ra, 2020

机译：使用QSAR模型预测高度关注（SVHC）的物质的PBT和CMR性质以及k到克雷的应用
7. Evaluation of risk prioritization and budget allocation methods for pollution prevention activities [O] . Daniels, J., Jones, E., Lmont, A., 1997

机译：评估污染预防活动的风险优先次序和预算分配方法

QSARs for Prioritizing PBT Substances to Promote Pollution Prevention

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