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X Demographics
Mendeley readers
Attention Score in Context
| Title |
A novel interaction fingerprint derived from per atom score contributions: exhaustive evaluation of interaction fingerprint performance in docking based virtual screening
|
|---|---|
| Published in |
Journal of Cheminformatics, March 2018
|
| DOI | 10.1186/s13321-018-0264-0 |
| Pubmed ID | |
| Authors |
Julia B. Jasper, Lina Humbeck, Tobias Brinkjost, Oliver Koch |
| Abstract |
Protein ligand interaction fingerprints are a powerful approach for the analysis and assessment of docking poses to improve docking performance in virtual screening. In this study, a novel interaction fingerprint approach (PADIF, protein per atom score contributions derived interaction fingerprint) is presented which was specifically designed for utilising the GOLD scoring functions' atom contributions together with a specific scoring scheme. This allows the incorporation of known protein-ligand complex structures for a target-specific scoring. Unlike many other methods, this approach uses weighting factors reflecting the relative frequency of a specific interaction in the references and penalizes destabilizing interactions. In addition, and for the first time, an exhaustive validation study was performed that assesses the performance of PADIF and two other interaction fingerprints in virtual screening. Here, PADIF shows superior results, and some rules of thumb for a successful use of interaction fingerprints could be identified. |
X Demographics
The data shown below were collected from the profiles of 5 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Japan | 2 | 40% |
| South Africa | 1 | 20% |
| Switzerland | 1 | 20% |
| Unknown | 1 | 20% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 2 | 40% |
| Scientists | 2 | 40% |
| Science communicators (journalists, bloggers, editors) | 1 | 20% |
Mendeley readers
The data shown below were compiled from readership statistics for 67 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Unknown | 67 | 100% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Student > Master | 14 | 21% |
| Researcher | 13 | 19% |
| Student > Ph. D. Student | 9 | 13% |
| Student > Bachelor | 6 | 9% |
| Student > Doctoral Student | 3 | 4% |
| Other | 9 | 13% |
| Unknown | 13 | 19% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 17 | 25% |
| Agricultural and Biological Sciences | 9 | 13% |
| Biochemistry, Genetics and Molecular Biology | 8 | 12% |
| Pharmacology, Toxicology and Pharmaceutical Science | 4 | 6% |
| Computer Science | 3 | 4% |
| Other | 8 | 12% |
| Unknown | 18 | 27% |
Attention Score in Context
This research output has an Altmetric Attention Score of 10. 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 29 September 2021.
All research outputs
#3,369,712
of 24,143,470 outputs
Outputs from Journal of Cheminformatics
#332
of 891 outputs
Outputs of similar age
#68,287
of 336,848 outputs
Outputs of similar age from Journal of Cheminformatics
#11
of 19 outputs
Altmetric has tracked 24,143,470 research outputs across all sources so far. Compared to these this one has done well and is in the 86th percentile: it's in the top 25% of all research outputs ever tracked by Altmetric.
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 has gotten more attention than average, scoring higher than 62% 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 336,848 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 79% of its contemporaries.
We're also able to compare this research output to 19 others from the same source and published within six weeks on either side of this one. This one is in the 47th percentile – i.e., 47% of its contemporaries scored the same or lower than it.