International Chemical Identifier for Reactions (RInChI)

International Chemical Identifier for Reactions (RInChI)
Authored by:
Guenter Grethe
Gerd Blanke
Hans Kraut
Jonathan M. Goodman

This May 2018 open access Journal of Cheminformatics article by Guenter Grethe et al., describes the first official version (RInChI-V1.00) that was released in March of 2017 and is available for download at the InChI Trust (https://www.inchi-trust.org/downloads/).

RInChI provides a standard for the representation of chemical reactions . As different databases use different methods for representing chemical reactions the adoption of RInChI and the ability to transform other representations into RInChI should allow for more thorough discovery across different databases of information related to chemical reactions. This article discusses the layers of the RInChI, the InChIKey and the Web-InChIKey. It also describes generation of RInChI from RD and RXN files, and the generation of RXN from RInChI. A database of over a million RInChI at the University of Cambridge is also described,  www-rinchi.ch.cam.ac.uk .

Information
Content Type Off-Site
DOI https://doi.org/10.1186/s13321-018-0277-8
License cc 4.0
Content Status publish
Number of Comments No Comments
Date Published 07/12/2018
Date Last Modified 07/16/2018
Content Tags Content type, HTML, InChI Modification, Multiple Component, PDF, Publication, RInChI