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一种自动化的计算数据管道,用于快速获取、评分和排列毒理学数据,以进行生态危害评估。

An automated computational data pipeline to rapidly acquire, score, and rank toxicological data for ecological hazard assessment.

机构信息

Oak Ridge Institute for Science and Education, Oak Ridge, Tennessee, USA.

US Environmental Protection Agency, Great Lakes Toxicology and Ecology Division, Center for Computational Toxicology and Exposure, Duluth, Minnesota, USA.

出版信息

Integr Environ Assess Manag. 2024 Nov;20(6):2203-2217. doi: 10.1002/ieam.4945. Epub 2024 May 16.

DOI:10.1002/ieam.4945
PMID:38752675
Abstract

Biological Evaluations support Endangered Species Act (ESA) consultation with the US Fish and Wildlife Service and National Marine Fisheries Service by federal action agencies, such as the USEPA, regarding impacts of federal activities on threatened or endangered species. However, they are often time-consuming and challenging to conduct. The identification of pollutant benchmarks or guidance to protect taxa for states and tribes when USEPA has not yet developed criteria recommendations is also of importance to ensure a streamlined approach to Clean Water Act program implementation. Due to substantial workloads, tight regulatory timelines, and the often-protracted length of ESA consultations, there is a need to streamline the development of biological evaluation toxicity assessments for determining the impact of chemical pollutants on ESA-listed species. Moreover, there is limited availability of species-specific toxicity data for many contaminants, further complicating the consultation process. New approach methodologies are being increasingly used in toxicology and chemical safety assessment to rapidly and cost-effectively provide data that can fill gaps in hazard and/or exposure characterization. Here, we present the development of an automated computational pipeline-RASRTox (Rapidly Acquire, Score, and Rank Toxicological data)-to rapidly extract and categorize ecological toxicity benchmark values from curated data sources (ECOTOX, ToxCast) and well-established quantitative structure-activity relationships (TEST, ECOSAR). As a proof of concept, points-of-departure (PODs) generated in RASRTox for 13 chemicals were compared against benchmark values derived using traditional methods-toxicity reference values (TRVs) and water quality criteria (WQC). The RASRTox PODs were generally within an order of magnitude of corresponding TRVs, though less concordant compared with WQC. The greatest utility of RASRTox, however, lies in its ability to quickly and systematically identify critical studies that may serve as a basis for screening value derivation by toxicologists as part of an ecological hazard assessment. As such, the strategy described in this case study can potentially be adapted for other risk assessment contexts and stakeholder needs. Integr Environ Assess Manag 2024;20:2203-2217. © 2024 Society of Environmental Toxicology & Chemistry (SETAC). This article has been contributed to by U.S. Government employees and their work is in the public domain in the USA.

摘要

生物评估支持濒危物种法案(ESA)咨询,由联邦行动机构(如美国环保署)与美国鱼类和野生动物管理局及国家海洋渔业局合作进行,以评估联邦活动对受威胁或濒危物种的影响。然而,这些评估通常既耗时又具有挑战性。在 USEPA 尚未制定标准建议的情况下,为各州和部落确定污染物基准或指导方针以保护分类单元也很重要,这有助于确保清洁水法案计划实施的简化方法。由于工作量大、监管时间紧迫以及 ESA 咨询通常持续时间较长,因此需要简化用于确定化学污染物对列入 ESA 的物种影响的生物评估毒性评估的制定。此外,许多污染物的特定物种毒性数据有限,这进一步使咨询过程复杂化。新的方法方法在毒理学和化学安全评估中越来越多地使用,以快速且具有成本效益地提供数据,从而填补危害和/或暴露特征描述中的空白。在这里,我们展示了一个自动化计算管道 RASRTox(快速获取、评分和排序毒性数据)的开发,该管道用于从经过策展的数据来源(ECOTOX、ToxCast)和成熟的定量构效关系(TEST、ECOSAR)中快速提取和分类生态毒性基准值。作为概念验证,RASRTox 生成的 13 种化学物质的起点(POD)与使用传统方法(毒性参考值(TRV)和水质标准(WQC))得出的基准值进行了比较。RASRTox 的 POD 通常在相应 TRV 的数量级内,尽管与 WQC 相比不太一致。然而,RASRTox 的最大用处在于它能够快速系统地识别关键研究,这些研究可能作为毒理学家进行生态危害评估中筛选值推导的基础。因此,本案例研究中描述的策略可能适用于其他风险评估情况和利益相关者的需求。综合环境评估与管理 2024;20:2203-2217。© 2024 年环境毒理与化学学会(SETAC)。本文已由美国政府雇员贡献,其工作在美国属于公有领域。

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