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International chemical identifier for reactions (RInChI)

This approach could be helpful in developing chemical safety information for specific processes in this future...

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International chemical identifier for reactions (RInChI)

Guenter Grethe, Gerd Blanke, Hans Kraut and Jonathan M. GoodmanEmail author
Journal of Cheminformatics201810:22å© The Author(s) 2018
Received: 5 January 2018Accepted: 24 April 2018Published: 9 May 2018

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, is now available for download ( This release defines 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.

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