Subcommittee on the IUPAC International Chemical Identifier (InChI)


The InChI SubCommittee has the responsibility for continued authentication of the InChI standard and acts as a scientific advisory board to the InChI Trust. In turn, the InChI Trust develops and supports the nonproprietary InChI standard and promotes its uses to the scientific community.

See InChI Trust website <> for the latest news and release.
For question, email the Project Director or SubCommittee chair Steve Heller.

Recent and noteworthy references

- InChI, the IUPAC International Chemical Identifier
S.R. Heller, et al. Journal of Cheminformatics 2015, 7:23, (30 May 2015)
This 2015 paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.

- Many InChIs and quite some feat
Wendy A. Warr, Journal of Computer-Aided Molecular Design 2015, Vol. 29, No 8, pp 681-694, (17 June 2015)
This account is a review of what InChI has achieved over 15 years; it includes no less than 277 references.

Current projects and future plans

project 2009-040-2-800, chaired by Colin Batchelor

project 2009-041-1-800 on hold

project 2009-042-1-800, chaired by Andrey Yerin

project 2009-043-2-800, chaired by Guenter Grethe

project 2012-023-2-800, chaired by Marc Nicklaus

project 2012-046-2-800, chaired by Richard Hartshorn

Large Molecules
project 2013-010-1-800, chaired by Keith Taylor

QR Codes
project 2015-019-2-800, chaired by Richard Hartshorn

Progress under the guidance of Markus Sitzmann, with assistance from Evan Bolton

Electronic States
Don Burgess at NIST is developing plans

Positional Isomers
Chris Steinbeck has initiated a study and is looking for a chair to lead the working group

Chemical mixture composition
Leah McEwen has initiated a working group. This work complements the work for the InChI QR codes

(page last updated 8 Oct 2015)

Subcommittees and Commissions


Minutes of Meetings

> Gaithersburg, MD, USA, 21-22 March 2012 [Full text - pdf 180KB]
> Glasgow, United Kingdom, 30 July 2009 [Full text - pdf 277KB]
> Salt Lake City, Utah, USA, 23 March 2009 [Full text - pdf 348KB]
> Gaithersburg, MD, USA, 15 September 2008 [Full text - pdf 257KB]