International chemical identifier for reactions (RInChI)
Guenter Grethe, Gerd Blanke, Hans Kraut & Jonathan M. Goodman
Journal of Cheminformatics volume 10, Article number: 22 (2018)
May 9, 2018
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.
| Information | |
|---|---|
| Content Type | OER |
| Author(s) | Guenter Grethe, Gerd Blanke, Hans Kraut & Jonathan M. Goodman |
| DOI | https://doi.org/10.1186/s13321-018-0277-8 |
| Content Link | https://jcheminf.biomedcentral.com/articles/10.1186/s13321-018-0277-8#:~:text=RInChI%20is%20based%20on%20the,or%20conformations%20of%20the%20molecule. |
| License | CC BY 4.0 |
| Content Status | publish |
| Date Published | |
| Content Tags | Cheminformatics, Classroom Material, Content type, Reactions |
