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.
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Working groups status: [text-slider] 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.
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
Video of @goodman_j talk up on YouTube
Our second #AI3SDSeminar by @goodman_j from @Cambridge_Uni on #InChI Measuring the #Molecules is now available on our YouTube Channel: https://www.youtube.com/watch?v=B881b5BasnU #Molecules #AI3SDInChI