https://www.youtube.com/watch?v=B881b5BasnU&ab_channel=AI4ScientificDiscovery Interview: Prior to this seminar, AI3SD interviewed Jonathan. This interview can be found here: https://eprints.soton.ac.uk/442343/ Abstract: The IUPAC international chemical identifier, InChI, provides a way to name molecules. It is defined…
The IUPAC international chemical identifier, InChI, provides a way to name molecules. It is defined by an open algorithm that transforms molecular structures into unique strings of text. Each molecule should have exactly one InChI, and each InChI should correspond to exactly one molecule. This property makes it a useful tool in the management of chemical information, and it is widely used. The InChI Trust and IUPAC are continuing to work on developing the standard and on creating new tools which are built on the InChI. This talk will outline how the InChI is used now, and how this may develop in the future.