InChI: open-source chemical structure representation algorithm

InChI and InChIKeys for chemical structures

The InChI Trust is a nonprofit charity which works to develop and promote the use of the IUPAC InChI open-source chemical structure representation algorithm. The InChI with its associated InChIKey was developed as a non-proprietary international standard to represent chemical structures and has just celebrated its tenth anniversary. The Trust aims to develop and improve on the current InChI standard, further enabling the interlinking of chemistry and chemical structures on the web.



Watch our set of videos to find out more about the InChI and why it’s so cool.

What on Earth is InChI?

This video introduces the InChI standard to represent chemical structures.

The Googlable InChIKey

An InChIKey enables chemical structures to be uniquely identified on the web.


The Birth of the InChI

This video describes the background to the development of the InChI standard.

InChI and the Islands

The InChI standard – the International Chemical Identifier – enables the linking of information.

We need a Technical Director and a Marketing & Outreach Director to build on the success of InChI. Interested? For additional info: (closing date 4 May 2021)

InChI Working Groups - upcoming open working group meetings in April and a plenary session on April 26th! #inchi2021

My talk during the NIH Virtual Workshop on InChI, March 22-24, 2021 #inchi2021 #cheminformatics #chemoinformatics #inchi #chemicalStructure

Slides from my talk at NIH big data #InChI symposium

Load More...