Title |
International chemical identifier for reactions (RInChI)
|
---|---|
Published in |
Journal of Cheminformatics, October 2013
|
DOI | 10.1186/1758-2946-5-45 |
Pubmed ID | |
Authors |
Guenter Grethe, Jonathan M Goodman, Chad HG Allen |
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. |
X Demographics
Geographical breakdown
Country | Count | As % |
---|---|---|
Australia | 1 | 11% |
United Kingdom | 1 | 11% |
Germany | 1 | 11% |
United States | 1 | 11% |
Unknown | 5 | 56% |
Demographic breakdown
Type | Count | As % |
---|---|---|
Scientists | 5 | 56% |
Members of the public | 3 | 33% |
Science communicators (journalists, bloggers, editors) | 1 | 11% |
Mendeley readers
Geographical breakdown
Country | Count | As % |
---|---|---|
United Kingdom | 3 | 5% |
Germany | 2 | 4% |
Bulgaria | 1 | 2% |
Netherlands | 1 | 2% |
Mexico | 1 | 2% |
United States | 1 | 2% |
Unknown | 46 | 84% |
Demographic breakdown
Readers by professional status | Count | As % |
---|---|---|
Researcher | 19 | 35% |
Student > Ph. D. Student | 15 | 27% |
Student > Master | 7 | 13% |
Student > Bachelor | 3 | 5% |
Professor > Associate Professor | 2 | 4% |
Other | 5 | 9% |
Unknown | 4 | 7% |
Readers by discipline | Count | As % |
---|---|---|
Chemistry | 21 | 38% |
Agricultural and Biological Sciences | 7 | 13% |
Computer Science | 7 | 13% |
Biochemistry, Genetics and Molecular Biology | 6 | 11% |
Engineering | 5 | 9% |
Other | 5 | 9% |
Unknown | 4 | 7% |