Title |
Inferring multi-target QSAR models with taxonomy-based multi-task learning
|
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Published in |
Journal of Cheminformatics, July 2013
|
DOI | 10.1186/1758-2946-5-33 |
Pubmed ID | |
Authors |
Lars Rosenbaum, Alexander Dörr, Matthias R Bauer, Frank M Boeckler, Andreas Zell |
Abstract |
A plethora of studies indicate that the development of multi-target drugs is beneficial for complex diseases like cancer. Accurate QSAR models for each of the desired targets assist the optimization of a lead candidate by the prediction of affinity profiles. Often, the targets of a multi-target drug are sufficiently similar such that, in principle, knowledge can be transferred between the QSAR models to improve the model accuracy. In this study, we present two different multi-task algorithms from the field of transfer learning that can exploit the similarity between several targets to transfer knowledge between the target specific QSAR models. |
X Demographics
Geographical breakdown
Country | Count | As % |
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Germany | 1 | 50% |
Unknown | 1 | 50% |
Demographic breakdown
Type | Count | As % |
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Members of the public | 1 | 50% |
Scientists | 1 | 50% |
Mendeley readers
Geographical breakdown
Country | Count | As % |
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Germany | 2 | 2% |
United States | 2 | 2% |
Brazil | 2 | 2% |
Netherlands | 1 | 1% |
Japan | 1 | 1% |
Serbia | 1 | 1% |
Unknown | 78 | 90% |
Demographic breakdown
Readers by professional status | Count | As % |
---|---|---|
Student > Ph. D. Student | 15 | 17% |
Student > Master | 14 | 16% |
Student > Bachelor | 9 | 10% |
Researcher | 8 | 9% |
Other | 6 | 7% |
Other | 15 | 17% |
Unknown | 20 | 23% |
Readers by discipline | Count | As % |
---|---|---|
Computer Science | 20 | 23% |
Chemistry | 14 | 16% |
Engineering | 6 | 7% |
Agricultural and Biological Sciences | 5 | 6% |
Biochemistry, Genetics and Molecular Biology | 5 | 6% |
Other | 12 | 14% |
Unknown | 25 | 29% |