International chemical identifier for reactions (RInChI)

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 frst ofcial release (RInChIV1.00), funded by the InChI Trust, is now available for download (https://staging.inchi-trust.info/downloads/). This release defnes 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.

Information
Content Type OER
Uploaded By Andrew Cornell
DOI https://doi.org/10.1186/s13321-018-0277-8
Content Link https://jcheminf.biomedcentral.com/track/pdf/10.1186/s13321-018-0277-8
License Open Access
Content Status publish
Number of Comments No Comments
Date Published May 9, 2018
Content Tags Application, Audience, Cheminformatics, Content type, Curricular Material, Document, English, File Type, Graduate, HTML, InChI Algorithm and Description, InChI Application, InChI Modification, Language, PDF, Publication, RInChI, Researcher, Script, Search, Software, Undergraduate, ePub