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dc.contributor.authorGrethe, Guenteren
dc.contributor.authorBlanke, Gerden
dc.contributor.authorKraut, Hansen
dc.contributor.authorGoodman, Jonathanen
dc.date.accessioned2018-09-05T12:45:47Z
dc.date.available2018-09-05T12:45:47Z
dc.date.issued2018-12en
dc.identifier.urihttps://www.repository.cam.ac.uk/handle/1810/279492
dc.description.abstractThe 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.description.sponsorshipInChI Trust
dc.languageenen
dc.publisherBioMed Central
dc.rightsAttribution 4.0 International (CC BY 4.0)
dc.rights.urihttps://creativecommons.org/licenses/by/4.0/
dc.titleInternational chemical identifier for reactions (RInChI)en
dc.typeArticle
prism.issueIdentifier1en
prism.number22en
prism.publicationDate2018en
prism.publicationNameJournal of Cheminformaticsen
prism.volume10en
dc.identifier.doi10.17863/CAM.26866
dcterms.dateAccepted2018-04-23en
rioxxterms.versionofrecord10.1186/s13321-018-0277-8en
rioxxterms.licenseref.urihttp://www.rioxx.net/licenses/all-rights-reserveden
rioxxterms.licenseref.startdate2018-12en
dc.contributor.orcidGoodman, Jonathan [0000-0002-8693-9136]
dc.identifier.eissn1758-2946
rioxxterms.typeJournal Article/Reviewen
cam.issuedOnline2018-05-09en


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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's licence is described as Attribution 4.0 International (CC BY 4.0)