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How the InChI chemical identifier catalyzed a career in building web-based chemistry tools
Citation:
Williams, A. How the InChI chemical identifier catalyzed a career in building web-based chemistry tools. Fall ACS, Chicago, IL, August 21 - 25, 2022. https://doi.org/10.23645/epacomptox.20492664
Impact/Purpose:
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Description:
The InChI identifier has been a powerful tool in supporting the development of many cheminformatics tools and online databases and, specifically, enabling the linkage between systems. Antony Williams, the presenter, has participated in the development of both commercial and open-source software tools and of online data resources including ChemSpider, the EPA CompTox Chemicals Dashboard and Wikipedia. In each case InChI has been an enabling technology that has assisted in the aggregation, curation, linking and distribution of chemistry data. This presentation will provide an overview of how InChI was literally the catalyzing technology development that encouraged the presenter to move from the world of commercial software to working in the world of providing freely accessible data to the community. The potential impact of new extensions to InChI which are under development on the EPA CompTox Chemicals Dashboard will also be discussed. This abstract does not necessarily represent the views or policies of the U.S. Environmental Protection Agency.
URLs/Downloads:
DOI: How the InChI chemical identifier catalyzed a career in building web-based chemistry tools
SUNDAY - HOW INCHI CATALYZED A CAREER IN BUILDING WEB-BASED CHEMISTRY TOOLS.PDF (PDF, NA pp, 3455.397 KB, about PDF)