Subcommittee on the IUPAC International Chemical Identifier

Description

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 the InChI Trust website at www.inchi-trust.org for the latest news and release. For questions, email the Project Director or SubCommittee Chair, Steve Heller).

InchI-videos

LINK to www.inchi-trust.org to access videos.

 

Current Projects

Meeting Minutes

Activity Reports

Other Projects

(See on-going current projects above) 

Markush project: 2009-041-1-800 on hold

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

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

Resolver 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

 

Recent Workshops

26 April 2021, InChI Working Groups Meeting
22-24 March 2021, Update on the development of the InChI
23-24 August 2019, InChI Symposium
4-5 February 2019, InChI Opportunities
17-18 August 2018, IUPAC/InChI mini-workshop
16-18 August 2017, InChI 10th anniversary workshop

Recent Presentation

InChI: Measuring the Molecules by Jonathan Goodman ( 16 July 2020, doi:10.5258/SOTON/P0047).

References

  • – InChI version 1.06: now more than 99.99% reliable
    J.M. Goodman, I. Pletnev, P. Thiessen, E. Bolton, S.R. Heller
    J. Cheminformatics 2021, 13, 40, https://doi.org/10.1186/s13321-021-00517-z (24 May 2021)
  • – Many InChIs and quite some feat
    Wendy A. Warr, Journal of Computer-Aided Molecular Design 2015, Vol. 29, No 8, pp 681-694, https://doi.org/10.1007/s10822-015-9854-3 (17 June 2015).
    This account is a review of what InChI has achieved over 15 years; it includes no less than 277 references.
  • – InChI, the IUPAC International Chemical Identifier
    S.R. Heller, et al. Journal of Cheminformatics 2015, 7:23, https://doi.org/10.1186/s13321-015-0068-4 (30 May 2015).
    This 2015 paper documents the design, layout and algorithms of the IUPAC International Chemical Identifier, InChI.

For more information on the InChI code, the developers, usage licenses, and additional resources click here.