Project Details Finalization of InChI standards for major chemistry areas, including organometallics and tautomers

Project No.:
2021-025-2-800
Start Date:
19 November 2021
End Date:

Objective

The chemistry community has been asking the InChI project to update the InChi algorithm and incorporate organometallics, extended stereochemistry and extended tautomers into the algorithm. A face-to-face workshop will be coordinated possibly in April 2022, to leverage the efforts of the working groups of the past few years.

Description

InChI is the poster child/showpiece for the IUPAC efforts to go digital and be the accepted organization for digital chemistry in the 21st century. The goal of this in-person subcommittee meeting is to update and finalize the InChI standards for three major and important areas of chemistry – Organometallics, Extended Stereochemistry, and Tautomers so they can be programmed into the existing InChI algorithm.

This effort to expand the capabilities and coverage of the InChI algorithm to include Organometallics, Extended Stereochemistry, Extended Tautomers will show the continued competence and excellence of IUPAC with its leadership in expanding the digital 21st century for chemistry standards. The InChI standard is being adopted by many vendors into their products as well as being used increasingly by the cheminformatics research community, evidenced by a growing body of publications and increased citations to InChI publications.

Progress

Related InChI projects
Organometallics https://iupac.org/project/2009-040-2-800
Inorganics https://iupac.org/project/2012-046-2-800
Tautomers https://iupac.org/project/2012-023-2-800

Page last updated 20 Nov 2021

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