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首页> 外文期刊>Environmental toxicology and chemistry >QUANTITATIVE STRUCTURE―ACTIVITY RELATIONSHIPS FOR PREDICTING POTENTIAL ECOLOGICAL HAZARD OF ORGANIC CHEMICALS FOR USE IN REGULATORY RISK ASSESSMENTS
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QUANTITATIVE STRUCTURE―ACTIVITY RELATIONSHIPS FOR PREDICTING POTENTIAL ECOLOGICAL HAZARD OF ORGANIC CHEMICALS FOR USE IN REGULATORY RISK ASSESSMENTS

机译:定量结构-活性关系用于预测潜在的有机化学危险性,用于法规风险评估

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摘要

The use of quantitative structure―activity relationships (QSARs) for deriving the predicted no-effect concentration of discrete organic chemicals for the purposes of conducting a regulatory risk assessment in Europe and the United States is described. In the United States, under the Toxic Substances Control Act (TSCA), the TSCA Interagency Testing Committee and the U.S. Environmental Protection Agency (U.S. EPA) use SARs to estimate the hazards of existing and new chemicals. Within the Existing Substances Regulation in Europe, QSARs may be used for data evaluation, test strategy indications, and the identification and filling of data gaps. To illustrate where and when QSARs may be useful and when their use is more problematic, an example, methyl tertiary-butyl ether (MTBE), is given and the predicted and experimental data are compared. Improvements needed for new QSARs and tools for developing and using QSARs are discussed.
机译:为了在欧洲和美国进行监管风险评估,描述了使用定量结构-活性关系(QSAR)来推导离散有机化学品的预计无效应浓度。在美国,根据《有毒物质控制法》(TSCA),TSCA机构间测试委员会和美国环境保护署(U.S. EPA),使用SAR估算现有和新化学品的危害。在欧洲现有物质法规中,QSAR可用于数据评估,测试策略指示以及识别和填补数据空白。为了说明QSAR在何时何地可能有用以及何时使用更成问题,我们举一个例子,即甲基叔丁基醚(MTBE),并比较了预测数据和实验数据。讨论了新的QSAR所需的改进以及用于开发和使用QSAR的工具。

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