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20190825 - Using open data, open services, and open source software to deliver the EPA CompTox Chemicals Dashboard (ACS Fall 2019)
Citation:
Williams, A., C. Grulke, K. Mansouri, J. Dunne, AND J. Edwards. 20190825 - Using open data, open services, and open source software to deliver the EPA CompTox Chemicals Dashboard (ACS Fall 2019). American Chemical Society Fall Meeting, San Diego, CA, August 25 - 29, 2019. https://doi.org/10.23645/epacomptox.9876005
Impact/Purpose:
Presentation to the American Chemical Society fall meeting in August 2019. This presentation will provide an overview of the dashboard, review our usage of open source code to deliver the web application, and discuss our present and planned contributions to open science.
Description:
The US EPA CompTox Chemicals Dashboard website provides access to various data types associated with ~900,000 chemical substances and supports the needs of the National Center for Computational Toxicology. The dashboard both consumes data, models and code from open sources as well as delivering data and services back to the community. The dashboard offers access to various types of aggregated and integrated chemistry, biology and toxicology data. The dashboard provides web-based access to data hosted in multiple databases, integrates to an underlying chemical registration system and utilizes both commercial and open QSAR/QSPR models to deliver predicted data for the chemicals. Some of the open source software that we utilize is used for InChI generation, for structure drawing and for real time prediction of both toxicity and physicochemical endpoints. This presentation will provide an overview of the dashboard, review our usage of open source code to deliver the web application, and discuss our present and planned contributions to open science. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
URLs/Downloads:
DOI: 20190825 - Using open data, open services, and open source software to deliver the EPA CompTox Chemicals Dashboard (ACS Fall 2019)
WILLIAMS_USING OPEN DATA TO DELIVER THE EPA COMPTOX CHEM DASHBOARD.PDF (PDF, NA pp, 4847.22 KB, about PDF)