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

Subcommittees and Commissions

Meeting Minutes

Activity Reports

Current Projects and Future Plans:

Organometallics:  2009-040-2-800, chaired by Colin Batchelor

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

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

Inorganics 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

Chemical mixture composition project 2015-025-4-800, chaired by Leah McEwen. (This project complements the InChI QR codes)

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

References:

  • InChI, the IUPAC International Chemical Identifier, S.R. Heller, et al. Journal of Cheminformatics 2015, 7:23, http://dx.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.
  • Many InChIs and quite some feat, Wendy A. Warr, Journal of Computer-Aided Molecular Design 2015, Vol. 29, No 8, pp 681-694, http://dx.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.

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