International chemical identifier for reactions (RInChI).
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Grethe, G., Blanke, G., Kraut, H., & Goodman, J. (2018). International chemical identifier for reactions (RInChI).. J Cheminform, 10 (1), 22. https://doi.org/10.1186/s13321-018-0277-8
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.
External DOI: https://doi.org/10.1186/s13321-018-0277-8
This record's URL: https://www.repository.cam.ac.uk/handle/1810/283444
Attribution 4.0 International
Licence URL: https://creativecommons.org/licenses/by/4.0/