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Improving structural similarity based virtual screening using background knowledge

Overview of attention for article published in Journal of Cheminformatics, December 2013
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Title
Improving structural similarity based virtual screening using background knowledge
Published in
Journal of Cheminformatics, December 2013
DOI 10.1186/1758-2946-5-50
Pubmed ID
Authors

Tobias Girschick, Lucia Puchbauer, Stefan Kramer

Abstract

Virtual screening in the form of similarity rankings is often applied in the early drug discovery process to rank and prioritize compounds from a database. This similarity ranking can be achieved with structural similarity measures. However, their general nature can lead to insufficient performance in some application cases. In this paper, we provide a link between ranking-based virtual screening and fragment-based data mining methods. The inclusion of binding-relevant background knowledge into a structural similarity measure improves the quality of the similarity rankings. This background knowledge in the form of binding relevant substructures can either be derived by hand selection or by automated fragment-based data mining methods.

X Demographics

X Demographics

The data shown below were collected from the profile of 1 X user who shared this research output. Click here to find out more about how the information was compiled.
Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 33 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
Brazil 1 3%
Unknown 32 97%

Demographic breakdown

Readers by professional status Count As %
Student > Ph. D. Student 8 24%
Student > Bachelor 6 18%
Researcher 4 12%
Professor > Associate Professor 4 12%
Student > Doctoral Student 3 9%
Other 6 18%
Unknown 2 6%
Readers by discipline Count As %
Chemistry 7 21%
Computer Science 7 21%
Agricultural and Biological Sciences 5 15%
Biochemistry, Genetics and Molecular Biology 4 12%
Pharmacology, Toxicology and Pharmaceutical Science 3 9%
Other 6 18%
Unknown 1 3%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 1. 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 17 December 2013.
All research outputs
#19,631,015
of 24,143,470 outputs
Outputs from Journal of Cheminformatics
#860
of 891 outputs
Outputs of similar age
#241,174
of 316,952 outputs
Outputs of similar age from Journal of Cheminformatics
#7
of 7 outputs
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So far Altmetric has tracked 891 research outputs from this source. They typically receive a lot more attention than average, with a mean Attention Score of 10.7. This one is in the 1st percentile – i.e., 1% of its peers scored the same or lower than it.
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