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Building an R

Overview of attention for article published in Journal of Cheminformatics, May 2012
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About this Attention Score

  • In the top 25% of all research outputs scored by Altmetric
  • High Attention Score compared to outputs of the same age (83rd percentile)
  • Above-average Attention Score compared to outputs of the same age and source (62nd percentile)

Mentioned by

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1 blog
twitter
1 X user

Citations

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22 Dimensions

Readers on

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48 Mendeley
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1 CiteULike
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Title
Building an R&D chemical registration system
Published in
Journal of Cheminformatics, May 2012
DOI 10.1186/1758-2946-4-11
Pubmed ID
Authors

Elyette Martin, Aurélien Monge, Jacques-Antoine Duret, Federico Gualandi, Manuel C Peitsch, Pavel Pospisil

Abstract

Small molecule chemistry is of central importance to a number of R&D companies in diverse areas such as the pharmaceutical, nutraceutical, food flavoring, and cosmeceutical industries. In order to store and manage thousands of chemical compounds in such an environment, we have built a state-of-the-art master chemical database with unique structure identifiers. Here, we present the concept and methodology we used to build the system that we call the Unique Compound Database (UCD). In the UCD, each molecule is registered only once (uniqueness), structures with alternative representations are entered in a uniform way (normalization), and the chemical structure drawings are recognizable to chemists and to a cartridge. In brief, structural molecules are entered as neutral entities which can be associated with a salt. The salts are listed in a dictionary and bound to the molecule with the appropriate stoichiometric coefficient in an entity called "substance". The substances are associated with batches. Once a molecule is registered, some properties (e.g., ADMET prediction, IUPAC name, chemical properties) are calculated automatically. The UCD has both automated and manual data controls. Moreover, the UCD concept enables the management of user errors in the structure entry by reassigning or archiving the batches. It also allows updating of the records to include newly discovered properties of individual structures. As our research spans a wide variety of scientific fields, the database enables registration of mixtures of compounds, enantiomers, tautomers, and compounds with unknown stereochemistries.

X Demographics

X Demographics

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Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 48 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Bulgaria 2 4%
Germany 1 2%
Brazil 1 2%
Unknown 44 92%

Demographic breakdown

Readers by professional status Count As %
Researcher 18 38%
Other 9 19%
Student > Ph. D. Student 6 13%
Professor 2 4%
Student > Doctoral Student 2 4%
Other 6 13%
Unknown 5 10%
Readers by discipline Count As %
Chemistry 18 38%
Computer Science 8 17%
Agricultural and Biological Sciences 5 10%
Biochemistry, Genetics and Molecular Biology 4 8%
Engineering 2 4%
Other 5 10%
Unknown 6 13%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 8. 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 12 July 2012.
All research outputs
#3,903,576
of 22,669,724 outputs
Outputs from Journal of Cheminformatics
#377
of 825 outputs
Outputs of similar age
#27,227
of 165,199 outputs
Outputs of similar age from Journal of Cheminformatics
#3
of 8 outputs
Altmetric has tracked 22,669,724 research outputs across all sources so far. Compared to these this one has done well and is in the 82nd percentile: it's in the top 25% 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 53% 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 165,199 tracked outputs that were published within six weeks on either side of this one in any source. This one has done well, scoring higher than 83% of its contemporaries.
We're also able to compare this research output to 8 others from the same source and published within six weeks on either side of this one. This one has scored higher than 5 of them.