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International chemical identifier for reactions (RInChI).

Published version
Peer-reviewed

Type

Article

Change log

Authors

Grethe, Guenter 
Blanke, Gerd 
Kraut, Hans 
Goodman, Jonathan M 

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.

Description

Keywords

0306 Physical Chemistry (incl. Structural)

Journal Title

J Cheminform

Conference Name

Journal ISSN

1758-2946
1758-2946

Volume Title

10

Publisher

Springer Nature