standards > identifier schema > DOI:10.25504/FAIRsharing.ddk9t9


ready IUPAC International Chemical Identifier

Abbreviation: InChI


General Information
Originally developed by the International Union of Pure and Applied Chemistry (IUPAC), the IUPAC International Chemical Identifier (InChI) is a machine-readable string generated from a chemical structure. InChIs are unique to the compound they describe and can encode absolute stereochemistry making chemicals and chemistry machine-readable and discoverable. A simple analogy is that InChI is the bar-code for chemistry and chemical structures. A hashed fixed-length version of the InChI, the InChIKey, is also widely used. The InChI format and algorithm are non-proprietary and the software is open source, with ongoing development done by the community. A number of IUPAC working groups are working on extensions and new applications of the standard.



How to cite this record FAIRsharing.org: InChI; IUPAC International Chemical Identifier; DOI: https://doi.org/10.25504/FAIRsharing.ddk9t9; Last edited: Feb. 15, 2019, 1:22 p.m.; Last accessed: Oct 23 2020 11:56 a.m.


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Record added: April 18, 2016, 11:28 a.m.
Record updated: Feb. 14, 2019, 2:46 p.m. by kiddr.

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Publications

InChI, the IUPAC International Chemical Identifier

Heller S,McNaught A, Pletnev I, Stein S, Tchekhovskoi D
J Cheminform 2015

View Paper (PubMed) View Publication

Many InChIs and quite some feat

Warr WA
J Comput Aided Mol Des 2015

View Paper (PubMed) View Publication

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