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X Demographics
Mendeley readers
Attention Score in Context
| Title |
The semantics of Chemical Markup Language (CML) for computational chemistry : CompChem
|
|---|---|
| Published in |
Journal of Cheminformatics, August 2012
|
| DOI | 10.1186/1758-2946-4-15 |
| Pubmed ID | |
| Authors |
Weerapong Phadungsukanan, Markus Kraft, Joe A Townsend, Peter Murray-Rust |
| Abstract |
: This paper introduces a subdomain chemistry format for storing computational chemistry data called CompChem. It has been developed based on the design, concepts and methodologies of Chemical Markup Language (CML) by adding computational chemistry semantics on top of the CML Schema. The format allows a wide range of ab initio quantum chemistry calculations of individual molecules to be stored. These calculations include, for example, single point energy calculation, molecular geometry optimization, and vibrational frequency analysis. The paper also describes the supporting infrastructure, such as processing software, dictionaries, validation tools and database repositories. In addition, some of the challenges and difficulties in developing common computational chemistry dictionaries are discussed. The uses of CompChem are illustrated by two practical applications. |
X Demographics
The data shown below were collected from the profiles of 3 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 1 | 33% |
| United Kingdom | 1 | 33% |
| Brazil | 1 | 33% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 2 | 67% |
| Scientists | 1 | 33% |
Mendeley readers
The data shown below were compiled from readership statistics for 52 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Germany | 2 | 4% |
| Switzerland | 1 | 2% |
| Brazil | 1 | 2% |
| Lithuania | 1 | 2% |
| United Kingdom | 1 | 2% |
| Canada | 1 | 2% |
| United States | 1 | 2% |
| Unknown | 44 | 85% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Ph. D. Student | 15 | 29% |
| Researcher | 9 | 17% |
| Student > Master | 5 | 10% |
| Professor | 4 | 8% |
| Other | 4 | 8% |
| Other | 9 | 17% |
| Unknown | 6 | 12% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 16 | 31% |
| Computer Science | 10 | 19% |
| Chemical Engineering | 3 | 6% |
| Engineering | 3 | 6% |
| Physics and Astronomy | 3 | 6% |
| Other | 8 | 15% |
| Unknown | 9 | 17% |
Attention Score in Context
This research output has an Altmetric Attention Score of 14. This is our high-level measure of the quality and quantity of online attention that it has received. This Attention Score, as well as the ranking and number of research outputs shown below, was calculated when the research output was last mentioned on 02 June 2022.
All research outputs
#2,180,901
of 22,673,450 outputs
Outputs from Journal of Cheminformatics
#209
of 825 outputs
Outputs of similar age
#14,625
of 166,600 outputs
Outputs of similar age from Journal of Cheminformatics
#6
of 11 outputs
Altmetric has tracked 22,673,450 research outputs across all sources so far. Compared to these this one has done particularly well and is in the 90th percentile: it's in the top 10% of all research outputs ever tracked by Altmetric.
So far Altmetric has tracked 825 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 11.0. This one has gotten more attention than average, scoring higher than 74% of its peers.
Older research outputs will score higher simply because they've had more time to accumulate mentions. To account for age we can compare this Altmetric Attention Score to the 166,600 tracked outputs that were published within six weeks on either side of this one in any source. This one has done particularly well, scoring higher than 91% of its contemporaries.
We're also able to compare this research output to 11 others from the same source and published within six weeks on either side of this one. This one is in the 45th percentile – i.e., 45% of its contemporaries scored the same or lower than it.