International chemical identifier for reactions (RInChI)
Guenter Grethe, Jonathan M Goodman & Chad HG Allen
Journal of Cheminformatics volume 5, Article number: 45 (2013)
Abstract: The IUPAC International Chemical Identifier (InChI) provides a method to generate a unique text descriptor of molecular structures. Building on this work, we report a process to generate a unique text descriptor for reactions, RInChI. By carefully selecting the information that is included and by ordering the data carefully, different scientists studying the same reaction should produce the same RInChI. If differences arise, these are most likely the minor layers of the InChI, and so may be readily handled. RInChI provides a concise description of the key data in a chemical reaction, and will help enable the rapid searching and analysis of reaction databases.
| Information | |
|---|---|
| Content Type | OER |
| DOI | https://doi.org/10.1186/1758-2946-5-45 |
| Content Link | https://jcheminf.biomedcentral.com/articles/10.1186/1758-2946-5-45 |
| License | CC 2.0 |
| Content Status | publish |
| Number of Comments | No Comments |
| Date Published | October 24, 2013 |
| Content Tags | Publication, Reactions |
