International chemical identifier for reactions (RInChI)
Goodman, Jonathan M
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Grethe, G., Blanke, G., Kraut, H., & Goodman, J. M. (2018). International chemical identifier for reactions (RInChI). [Journal Article]. https://doi.org/10.1186/s13321-018-0277-8
Abstract 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 DOI: https://doi.org/10.17863/CAM.22886
Rights Holder: The Author(s)