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RInChI version 1.00 software release

4 Apr 2017

The InChI provides a unique descriptor of molecular structures. The Reaction-InChI (RInChI) extends this idea towards reactions.

Prototype versions of the RInChI have been available since 2011 (Grethe, Goodman and Allen, Journal of Cheminformatics 2013, 5, 45. DOI: 10.1186/1758-2946-5-45). The first official release (RInChI-V1.00), funded by the InChI Trust and with Gerd Blanke as lead developer, is now available for download (https://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. [see details under project 2009-043-2-800]

[more about InChI]

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