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Advancing the accuracy of open chemical information with CAS Common Chemistry (ACS 2021)
Citation:
Willighagen, E., A. Williams, C. Grulke, AND A. Jacobs. Advancing the accuracy of open chemical information with CAS Common Chemistry (ACS 2021). ACS Spring, Virtual, NC, April 05 - 30, 2021. https://doi.org/10.23645/epacomptox.24293551
Impact/Purpose:
Presentation to the American Chemical Society (ACS) Spring 2021 National Meeting April 2021. Chemical safety decisions and management can be hindered by the lack of ready-access to the ever-expanding array of data, tools, and models that are relevant to the analyses. Even though many chemical safety resources are available, it may not be clear how the various sources of information might be combined in targeted, efficient workflows to address their specific questions. Furthermore, the use of information from traditionally separate data sources is time-consuming and complex. OCSPP, OLEM, OW, Regions, States, and Tribes have indicated research needs in chemical curation and informatics. This product provides regulatory scientists, students and researchers with the ability to effectively access and exploit the many in silico data streams to support different regulatory purposes and supports current Agency efforts to reduce mammal study requests by 30% by 2025, and completely eliminate all mammal study requests and funding by 2035.
Description:
CAS Common Chemistry is a website of publicly available chemical information from CASREGISTRY® that has provided validated data on a few thousand common substances since 2009. The CASCommon Chemistry website has been re-launched in 2021 with an updated graphical user interface, APIcapability and a dramatically expanded content set. CAS Registry Numbers®, CAS names and synonyms,chemical structures in multiple formats, and basic physical properties are now available for nearly 500,000chemicals on regulatory lists and teaching sets. CAS Registry Numbers are used for identifying chemical substances in research papers, dissertations,chemical catalogs, government substance indices, and stockroom management systems around the globe.There is a strong need in the chemistry community to work with data for a larger selection of commonsubstances of broad public impact and align these to modern best practices in data science. With themovement towards open science, FAIR (Findable, Accessible, Interoperable, and Reusable) data, and theintegration of large chemical datasets, the importance to scientists to be able to find and accurately correlatechemical substances with their associated data cannot be understated. The CAS Common Chemistry open resource was first brought to life through community feedback, and itsexpansion has likewise been driven through collaboration between CAS and thought leaders in the chemistrycommunity. In this presentation, we will share perspectives on the work that led to the exciting re-launch ofCAS Common Chemistry, provide an overview of the resource and look to future opportunities to furtherleverage this collaborative approach. This abstract does not necessarily represent the views or policies of the U.S. Environmental ProtectionAgency.
URLs/Downloads:
DOI: Advancing the accuracy of open chemical information with CAS Common Chemistry (ACS 2021)
PRESENTATION.PDF (PDF, NA pp, 1582.661 KB, about PDF)