From: DCHAS Membership Chair <membership**At_Symbol_Here**DCHAS.ORG>
Subject: [DCHAS-L] International chemical identifier for reactions (RInChI)
Date: Thu, 10 May 2018 07:38:58 -0400
Reply-To: ACS Division of Chemical Health and Safety <DCHAS-L**At_Symbol_Here**PRINCETON.EDU>
Message-ID: 367872E7-711C-44E6-B325-59FB5A118567**At_Symbol_Here**dchas.org


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

- Ralph

https://jcheminf.springeropen.com/articles/10.1186/s13321-018-0277-8

International chemical identifier for reactions (RInChI)

Guenter Grethe, Gerd Blanke, Hans Kraut and Jonathan M. GoodmanEmail author
Journal of Cheminformatics201810:22
https://doi.org/10.1186/s13321-018-0277-8 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 (http://www.inchi-trust.org/downloads/). 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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