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.
And some good news for 2020 - v1.06 is released. Best wishes to all for 2021
InChI v1.06 now available! Pseudo-atoms, polymers, and the same standard InChI: https://www.inchi-trust.org/downloads/ @InChI_Trust
Discussion about the InChI Open Educational Resource (OER) at ConfChem
https://confchem.ccce.divched.org/2020CCCENLP1
1.06 pre-release available for final testing (not yet for general use).
https://sourceforge.net/p/inchi/mailman/message/37106055/
Notes, feedback (by 2nd Oct): https://sourceforge.net/p/inchi/mailman/message/37106055/
Accompanying the recent webinar & video, an interview with @goodman_j
by @profechem @AISciNet
http://dx.doi.org/10.5258/SOTON/P0024