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).
LINK to www.inchi-trust.org to access videos.
Current Projects
- 2019-017-2-800 - Enhanced recognition and encoding of stereoconfiguration by InChI tools
- 2018-012-3-024 - InChI Open Education Resource (OER)
- 2015-025-4-800 - InChI extension for mixture composition
- 2015-019-2-800 - Identifying International Chemical Identifier (InChI) Enhancements -- QR codes and Industry Applications
- 2013-010-1-800 - Implementation of InChI for chemically modified large biomolecules
- 2012-046-2-800 - Handling of Inorganic compounds for InChI V2
- 2012-023-2-800 - Redesign of Handling of Tautomerism for InChI V2
- 2009-040-2-800 - InChI Requirements for Representation of Organometallic and Coordination Compound Structures
Meeting Minutes
- 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)
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.