| Title |
Tales from the war on error: the art and science of curating QSAR data
|
|---|---|
| Published in |
Perspectives in Drug Discovery and Design, August 2015
|
| DOI | 10.1007/s10822-015-9865-0 |
| Pubmed ID | |
| Authors |
Marvin Waldman, Robert Fraczkiewicz, Robert D. Clark |
| Abstract |
Curating the data underlying quantitative structure-activity relationship models is a never-ending struggle. Some curation can now be automated but much cannot, especially where data as complex as those pertaining to molecular absorption, distribution, metabolism, excretion, and toxicity are concerned (vide infra). The authors discuss some particularly challenging problem areas in terms of specific examples involving experimental context, incompleteness of data, confusion of units, problematic nomenclature, tautomerism, and misapplication of automated structure recognition tools. |
X Demographics
The data shown below were collected from the profiles of 2 X users who shared this research output. Click here to find out more about how the information was compiled.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 2 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Scientists | 1 | 50% |
| Members of the public | 1 | 50% |
Mendeley readers
The data shown below were compiled from readership statistics for 53 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United Kingdom | 1 | 2% |
| United States | 1 | 2% |
| Brazil | 1 | 2% |
| Unknown | 50 | 94% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 16 | 30% |
| Student > Ph. D. Student | 8 | 15% |
| Student > Bachelor | 6 | 11% |
| Student > Master | 6 | 11% |
| Other | 5 | 9% |
| Other | 4 | 8% |
| Unknown | 8 | 15% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 19 | 36% |
| Pharmacology, Toxicology and Pharmaceutical Science | 9 | 17% |
| Computer Science | 3 | 6% |
| Agricultural and Biological Sciences | 3 | 6% |
| Physics and Astronomy | 2 | 4% |
| Other | 6 | 11% |
| Unknown | 11 | 21% |
Attention Score in Context
This research output has an Altmetric Attention Score of 3. 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 14 September 2015.
All research outputs
#14,334,835
of 25,457,858 outputs
Outputs from Perspectives in Drug Discovery and Design
#661
of 949 outputs
Outputs of similar age
#124,196
of 277,678 outputs
Outputs of similar age from Perspectives in Drug Discovery and Design
#4
of 11 outputs
Altmetric has tracked 25,457,858 research outputs across all sources so far. This one is in the 43rd percentile – i.e., 43% of other outputs scored the same or lower than it.
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 is in the 29th percentile – i.e., 29% of its peers scored the same or lower than it.
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 277,678 tracked outputs that were published within six weeks on either side of this one in any source. This one has gotten more attention than average, scoring higher than 54% 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 has gotten more attention than average, scoring higher than 63% of its contemporaries.