Title |
Predicting the protein targets for athletic performance-enhancing substances
|
---|---|
Published in |
Journal of Cheminformatics, June 2013
|
DOI | 10.1186/1758-2946-5-31 |
Pubmed ID | |
Authors |
Lazaros Mavridis, John BO Mitchell |
Abstract |
The World Anti-Doping Agency (WADA) publishes the Prohibited List, a manually compiled international standard of substances and methods prohibited in-competition, out-of-competition and in particular sports. It would be ideal to be able to identify all substances that have one or more performance-enhancing pharmacological actions in an automated, fast and cost effective way. Here, we use experimental data derived from the ChEMBL database (~7,000,000 activity records for 1,300,000 compounds) to build a database model that takes into account both structure and experimental information, and use this database to predict both on-target and off-target interactions between these molecules and targets relevant to doping in sport. |
X Demographics
Geographical breakdown
Country | Count | As % |
---|---|---|
Germany | 1 | 25% |
Unknown | 3 | 75% |
Demographic breakdown
Type | Count | As % |
---|---|---|
Members of the public | 3 | 75% |
Scientists | 1 | 25% |
Mendeley readers
Geographical breakdown
Country | Count | As % |
---|---|---|
United Kingdom | 1 | 3% |
Brazil | 1 | 3% |
Unknown | 38 | 95% |
Demographic breakdown
Readers by professional status | Count | As % |
---|---|---|
Student > Bachelor | 8 | 20% |
Student > Master | 6 | 15% |
Student > Ph. D. Student | 6 | 15% |
Professor > Associate Professor | 4 | 10% |
Researcher | 3 | 8% |
Other | 4 | 10% |
Unknown | 9 | 23% |
Readers by discipline | Count | As % |
---|---|---|
Chemistry | 9 | 23% |
Computer Science | 4 | 10% |
Engineering | 3 | 8% |
Medicine and Dentistry | 3 | 8% |
Pharmacology, Toxicology and Pharmaceutical Science | 3 | 8% |
Other | 8 | 20% |
Unknown | 10 | 25% |