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The EPA CompTox Chemistry Dashboard: A Web-Based Data Integration Hub
Citation:
Williams, A. The EPA CompTox Chemistry Dashboard: A Web-Based Data Integration Hub . Presented at Norman Network meeting, Leipzig, GERMANY, November 30, 2017. https://doi.org/10.23645/epacomptox.6860852
Impact/Purpose:
This presentation will provide an overview of the Dashboard, its capabilities for delivering data to the environmental chemistry community and how the architecture provides a foundation for the development of additional applications to support chemical risk assessment. It will include a review of how the Dashboard can be used to support structure identification and our efforts to coordinate structure curation efforts around the Dashboard as a central hub for non-targeted analysis.
Description:
The U.S. Environmental Protection Agency (EPA) Computational Toxicology Program integrates advances in biology, chemistry, and computer science to help prioritize chemicals for further research based on potential human health risks. This work involves computational and data driven approaches that integrate chemistry, exposure and biological data. As an outcome of these efforts the National Center for Computational Toxicology (NCCT) has measured, assembled and delivered an enormous quantity and diversity of data for the environmental sciences including high-throughput in vitro screening data, in vivo and functional use data, exposure models and chemical databases with associated properties. A series of software applications and databases have been produced over the past decade to deliver these data but recent developments have focused on the development of a new software architecture that assembles the resources into a single platform. Our web application, the CompTox Chemistry Dashboard provides access to data associated with ~760,000 chemical substances. These data include experimental and predicted physicochemical property data, bioassay screening data associated with the ToxCast program, product and functional use information and a myriad of related data of value to environmental scientists. This presentation will provide an overview of the Dashboard, its capabilities for delivering data to the environmental chemistry community and how the architecture provides a foundation for the development of additional applications to support chemical risk assessment. It will include a review of how the Dashboard can be used to support structure identification and our efforts to coordinate structure curation efforts around the Dashboard as a central hub for non-targeted analysis. This abstract does not reflect U.S. EPA policy.
URLs/Downloads:
DOI: The EPA CompTox Chemistry Dashboard: A Web-Based Data Integration Hub
UFZ_NORMAN PRESENTATION_FINAL.PDF (PDF, NA pp, 5733.529 KB, about PDF)