4.6 Article

International chemical identifier for reactions (RInChI)

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JOURNAL OF CHEMINFORMATICS
卷 10, 期 -, 页码 -

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BIOMED CENTRAL LTD
DOI: 10.1186/s13321-018-0277-8

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  1. InChI Trust
  2. IUPAC
  3. Royal Society of Chemistry

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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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