The Reaction-InChI (RInChI) extends the idea of the InChI, which provides a unique descriptor of molecular structures, towards reactions. Prototype versions of the RInChI have been available since 2011. The first official release (RInChI-V1.00), funded by the InChI Trust, has been available for download since March 2017. It defines the format and generates hashed representations (RInChIKeys) suitable for database and web operations. This talk will introduce the various RInChI representations and reports the first results of our work with reaction database indexed by RInChI to demonstrate how RInChI may facilitate the manipulation and analysis of reaction data.

International Chemical Identifier for Reactions (RInChI): What is RInChI and how does it revolutionize the handling of reaction databases?

254th National Meeting (2017)

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