Macs in Chemistry

Insanely Great Science

InChI version 1.06: now more than 99.99% reliable

 

A nice review of the latest version https://doi.org/10.1186/s13321-021-00517-z.

In this paper, we report on the current state of the InChI Software, the details of the improvements in the v1.06 release, and the results of a test of the InChI run on PubChem, a database of more than a hundred million molecules. The upgrade introduces significant new features, including support for pseudo-element atoms and an improved description of polymers. We expect that few, if any, applications using the standard InChI will need to change as a result of the changes in version 1.06.

It can be downloaded here https://www.inchi-trust.org/downloads/

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