Since its first release in 2017, the International Chemical Identifier for Reactions (Reaction InChI, RInChI) provides a vendor-neutral, machine-readable string identifying chemical reactions. RInChI uses the standard InChI to represent each of the components of a reaction to build a unique identifier accompanied by RInChIKeys that are used as reaction database indices. RInChI allow the fast recognition of identical reactions, or make reaction findable whose role definitions are not fully exhaustively defined. That makes RInChI a valuable tool for Findable, Accessible, Interoperable, and Reusable (FAIR) data handling in the world of chemical reactions. RInChI is used in databases and cheminformatics software packages including drawing tools that generate RInChIs and related keys from reaction depictions. Publishers are integrating the RInChI into their applications. In future new releases additional auxiliary layers will be introduced to the RInChI that include the ability to assign atom-atom mapping information and chemical process details, such as reaction temperature and yield. The introduction of non-structural identifiers will make possible the description of enzyme reactions as well as any other reaction component that cannot be represented by a unique chemical structure like many naturally-occurring materials and biologics. Programming of the next version will remain open source and will be moved to GitHub to achieve a better participation by the user community in further developments. Igor Pletnev’s work on InChIs over the last 15 years continues in the life of Reaction InChIs to make chemical reactions more Findable, Accessible, Interoperable, and Reusable. .

InChI - the path in the wild of chemical reactions: the Reaction InChI (RInChI)

Fall 2022 abstracts, posters, and presentations will launch in mid-September.

ACS Fall 2022

The official archive and repository for all ACS Meetings & Expositions abstracts and select posters or presentations.