| Title |
Cheminformatics aspects of high throughput screening: from robots to models: symposium summary
|
|---|---|
| Published in |
Perspectives in Drug Discovery and Design, May 2013
|
| DOI | 10.1007/s10822-013-9646-6 |
| Pubmed ID | |
| Authors |
Y. Jane Tseng, Eric Martin, Cristian G. Bologa, Anang A. Shelat |
| Abstract |
The "Cheminformatics aspects of high throughput screening (HTS): from robots to models" symposium was part of the computers in chemistry technical program at the American Chemical Society National Meeting in Denver, Colorado during the fall of 2011. This symposium brought together researchers from high throughput screening centers and molecular modelers from academia and industry to discuss the integration of currently available high throughput screening data and assays with computational analysis. The topics discussed at this symposium covered the data-infrastructure at various academic, hospital, and National Institutes of Health-funded high throughput screening centers, the cheminformatics and molecular modeling methods used in real world examples to guide screening and hit-finding, and how academic and non-profit organizations can benefit from current high throughput screening cheminformatics resources. Specifically, this article also covers the remarks and discussions in the open panel discussion of the symposium and summarizes the following talks on "Accurate Kinase virtual screening: biochemical, cellular and selectivity", "Selective, privileged and promiscuous chemical patterns in high-throughput screening" and "Visualizing and exploring relationships among HTS hits using network graphs". |
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.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| United States | 1 | 100% |
Demographic breakdown
| Type | Count | As % |
|---|---|---|
| Members of the public | 1 | 100% |
Mendeley readers
The data shown below were compiled from readership statistics for 25 Mendeley readers of this research output. Click here to see the associated Mendeley record.
Geographical breakdown
| Country | Count | As % |
|---|---|---|
| Brazil | 2 | 8% |
| Unknown | 23 | 92% |
Demographic breakdown
| Readers by professional status | Count | As % |
|---|---|---|
| Researcher | 6 | 24% |
| Professor > Associate Professor | 6 | 24% |
| Student > Master | 4 | 16% |
| Student > Bachelor | 2 | 8% |
| Student > Doctoral Student | 1 | 4% |
| Other | 2 | 8% |
| Unknown | 4 | 16% |
| Readers by discipline | Count | As % |
|---|---|---|
| Chemistry | 10 | 40% |
| Computer Science | 2 | 8% |
| Engineering | 2 | 8% |
| Medicine and Dentistry | 2 | 8% |
| Economics, Econometrics and Finance | 1 | 4% |
| Other | 2 | 8% |
| Unknown | 6 | 24% |
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 10 May 2013.
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#20,838,163
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Outputs from Perspectives in Drug Discovery and Design
#819
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#155,926
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Outputs of similar age from Perspectives in Drug Discovery and Design
#8
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