↓ Skip to main content

Three-dimensional hydrogen-bond geometry and probability information from a crystal survey

Overview of attention for article published in Perspectives in Drug Discovery and Design, December 1996
Altmetric Badge

About this Attention Score

  • Good Attention Score compared to outputs of the same age (78th percentile)
  • High Attention Score compared to outputs of the same age and source (81st percentile)

Mentioned by

patent
1 patent
facebook
1 Facebook page

Citations

dimensions_citation
227 Dimensions

Readers on

mendeley
171 Mendeley
citeulike
4 CiteULike
You are seeing a free-to-access but limited selection of the activity Altmetric has collected about this research output. Click here to find out more.
Title
Three-dimensional hydrogen-bond geometry and probability information from a crystal survey
Published in
Perspectives in Drug Discovery and Design, December 1996
DOI 10.1007/bf00134183
Pubmed ID
Authors

J. E. J. Mills, P. M. Dean

Abstract

An extensive crystal survey of the Cambridge Structural Database has been carried out to provide hydrogen-bond data for use in drug-design strategies. Previous crystal surveys have generated 1D frequency distributions of hydrogen-bond distances and angles, which are not sufficient to model the hydrogen bond as a ligand-receptor interaction. For each hydrogen-bonding group of interest to the drug designer, geometric hydrogen-bond criteria have been derived. The 3D distribution of complementary atoms about each hydrogen-bonding group has been ascertained by dividing the space about each group into bins of equal volume and counting the number of observed hydrogen-bonding contacts in each bin. Finally, the propensity of each group to form a hydrogen bond has been calculated. Together, these data can be used to predict the potential site points with which a ligand could interact and therefore could be used in molecular-similarity studies, pharmacophore query searching of databases, or de novo design algorithms.

Mendeley readers

Mendeley readers

The data shown below were compiled from readership statistics for 171 Mendeley readers of this research output. Click here to see the associated Mendeley record.

Geographical breakdown

Country Count As %
United Kingdom 2 1%
India 2 1%
Portugal 1 <1%
Germany 1 <1%
Hungary 1 <1%
Korea, Republic of 1 <1%
Brazil 1 <1%
Canada 1 <1%
Denmark 1 <1%
Other 3 2%
Unknown 157 92%

Demographic breakdown

Readers by professional status Count As %
Researcher 44 26%
Student > Ph. D. Student 40 23%
Student > Bachelor 15 9%
Student > Master 13 8%
Student > Postgraduate 10 6%
Other 25 15%
Unknown 24 14%
Readers by discipline Count As %
Chemistry 46 27%
Agricultural and Biological Sciences 31 18%
Biochemistry, Genetics and Molecular Biology 26 15%
Computer Science 11 6%
Physics and Astronomy 10 6%
Other 25 15%
Unknown 22 13%
Attention Score in Context

Attention Score in Context

This research output has an Altmetric Attention Score of 4. 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 22 December 2016.
All research outputs
#8,296,578
of 25,457,858 outputs
Outputs from Perspectives in Drug Discovery and Design
#414
of 949 outputs
Outputs of similar age
#19,571
of 92,727 outputs
Outputs of similar age from Perspectives in Drug Discovery and Design
#3
of 16 outputs
Altmetric has tracked 25,457,858 research outputs across all sources so far. This one has received more attention than most of these and is in the 66th percentile.
So far Altmetric has tracked 949 research outputs from this source. They typically receive a little more attention than average, with a mean Attention Score of 5.3. This one has gotten more attention than average, scoring higher than 56% 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 92,727 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 78% of its contemporaries.
We're also able to compare this research output to 16 others from the same source and published within six weeks on either side of this one. This one has done well, scoring higher than 81% of its contemporaries.