International chemical identifier for reactions (RInChI)

International chemical identifier for reactions (RInChI)
Authored by:
Guenter Grethe
Gerd Blanke
Hans Kraut
Jonathan M. Goodman

Abstract

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 frst ofcial release (RInChIV1.00), funded by the InChI Trust, is now available for download (http://www.inchi-trust.org/downloads/). This release defnes the format and generates hashed representations (RInChIKeys) suitable for database and web operations. The RInChI provides a concise description of the key data in chemical processes, and facilitates the manipulation and analysis of reaction data.