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Updated: May 14, 2026

Applying Cheminformatics to Develop a Structure Searchable Database of Analytical Methods
Published on: June 6, 2025
InChI - the worldwide chemical structure identifier standard
Stephen Heller1, Alan McNaught, Stephen Stein
1Department of Chemistry, InChI Trust, InChI Trust, NIST, NIST, Lomonosov Moscow State University, Moscow, Russia. srheller@nist.gov.
Abstract:
Since its public introduction in 2005 the IUPAC InChI chemical structure identifier standard has become the international, worldwide standard for defined chemical structures. This article will describe the extensive use and dissemination of the InChI and InChIKey structure representations by and for the world-wide chemistry community, the chemical information community, and major publishers and disseminators of chemical and related scientific offerings in manuscripts and databases.
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