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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/s13321-018-0277-8å© 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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