An Open Standard for Chemical Structure Representation: The IUPAC Chemical Identifier

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PubChem: Integrated Platform of Small Molecules and Biological Activities (2008, unknown): “SMILES[10], InChI[11], IUPAC name[12], etc.”
BRENDA, the enzyme information system in 2011 (2010, background): “Thisincludesinformationonthenomenclature (the preferred name (BRENDA name), and synonyms), the molecular structure of small molecules, the molecular formula and the InchiKey (7) for further database or web searches.”
Molecular Sets (MOSES): A Benchmarking Platform for Molecular Generation Models (2018, background): “International Chemical Identifier (InChI) (Stein et al., 2003) is a more verbose string representation which explicitly specifies a chemical formula, atoms’ charges, hydrogens, and isotopes.”
Chemical Entities of Biological Interest: an update (2009, methodology): “There is a finite, but very small probability of finding two structures with the same InChIKey.”
The RAVEN Toolbox and Its Use for Generating a Genome-scale Metabolic Model for Penicillium chrysogenum (2013, methodology): “Both these formats allow for extensive annotation of model components, such as International Chemical Identifier strings (InChI) [26] for metabolites or database identifiers for reactions and genes.”