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穿越读通工具的雷区:用于分组的计算机模拟工具综述

Navigating through the minefield of read-across tools: A review of in silico tools for grouping.

作者信息

Grace Patlewicz, George Helman, Prachi Pradeep, Imran Shah

机构信息

National Center for Computational Toxicology (NCCT), Office of Research and Development, US Environmental Protection Agency, 109 TW Alexander Dr, Research Triangle Park (RTP), NC 27711, USA.

Oak Ridge Institute for Science and Education (ORISE), Oak Ridge, TN, USA.

出版信息

Comput Toxicol. 2017 Aug;3:1-18. doi: 10.1016/j.comtox.2017.05.003.

Abstract

Read-across is a popular data gap filling technique used within analogue and category approaches for regulatory purposes. In recent years there have been many efforts focused on the challenges involved in read-across development, its scientific justification and documentation. Tools have also been developed to facilitate read-across development and application. Here, we describe a number of publicly available read-across tools in the context of the category/analogue workflow and review their respective capabilities, strengths and weaknesses. No single tool addresses all aspects of the workflow. We highlight how the different tools complement each other and some of the opportunities for their further development to address the continued evolution of read-across.

摘要

类推法是一种在监管目的的类似物和类别方法中使用的流行的数据缺口填补技术。近年来,人们做出了许多努力,聚焦于类推法开发中涉及的挑战、其科学依据和文件记录。还开发了一些工具来促进类推法的开发和应用。在此,我们在类别/类似物工作流程的背景下描述了一些公开可用的类推法工具,并评估了它们各自的能力、优点和缺点。没有一个工具能解决工作流程的所有方面。我们强调了不同工具如何相互补充,以及它们进一步发展以应对类推法不断演变的一些机会。

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