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dc.contributor.authorGrethe, Guenter
dc.contributor.authorBlanke, Gerd
dc.contributor.authorKraut, Hans
dc.contributor.authorGoodman, Jonathan M
dc.date.accessioned2018-05-09T05:59:35Z
dc.date.available2018-05-09T05:59:35Z
dc.date.issued2018-05-09
dc.identifier.citationJournal of Cheminformatics. 2018 May 09;10(1):22
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/275632
dc.description.abstractAbstract 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.
dc.titleInternational chemical identifier for reactions (RInChI)
dc.typeJournal Article
dc.date.updated2018-05-09T05:59:33Z
dc.language.rfc3066en
dc.rights.holderThe Author(s)
dc.identifier.doi10.17863/CAM.22886
rioxxterms.versionofrecord10.1186/s13321-018-0277-8


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