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New Computational Tools from EPA: The CompTox Chemicals Dashboard and Generalized Read Across
Citation:
Patlewicz, G. AND A. Williams. New Computational Tools from EPA: The CompTox Chemicals Dashboard and Generalized Read Across. Presented at American Society for Cellular and Computational Toxicology (ASCCT) Webinar, RTP, NC, May 09, 2019. https://doi.org/10.23645/epacomptox.8289890
Impact/Purpose:
Webinar to the American Society for Cellular and Computational Toxicology (ASCCT) May 2019 on the EPA's CompTox Chemicals Dashboard and the GenRA application.
Description:
The U.S. Environmental Protection Agency Computational Toxicology Program integrates advances in biology, chemistry, and computer science to help prioritize chemicals for further research based on potential human health risks. The CompTox Chemicals Dashboard is a web-based application providing access to data associated with ~875,000 chemical substances, including high-throughput in vitro screening data, exposure models, and more; read-across and QSAR models are also available. By adding these data, with their associated chemical identifiers, the dashboard uses linking approaches to allow for automated searching of PubMed, Google Scholar and an array of public databases. Read-across traditionally relies on a thorough expert assessment, which can lead to inconsistent predictions and limit the numbers of chemicals that can be evaluated. We sought to evaluate the performance of read-across for a large set of chemicals in a systematic, objective and reproducible manner and to provide quantitative measures of uncertainty for the predictions derived. The approach, generalized read-across (GenRA), relies on chemical descriptor information and/or in vitro bioactivity data to derive read-across predictions of effects observed in in vivo repeat-dose toxicity studies. A web-based GenRA tool was then developed anchored around the established category workflow and added to the CompTox Chemicals Dashboard. The first par of the presentation will provide an overview of the Dashboard and how it can be used for the analysis of emerging chemicals. The second part will describe the functionality and features of the GenRA web application. Users are able to search the Dashboard for a substance of interest, browse available information including toxicity information and then derive GenRA predictions. This abstract does not necessarily represent the views or policies of the U.S. EPA.
URLs/Downloads:
DOI: New Computational Tools from EPA: The CompTox Chemicals Dashboard and Generalized Read Across
PATLEWICZ_WILLIAMS_ASCCT_PRESENTATION_V2.PDF (PDF, NA pp, 6043.423 KB, about PDF)