Active Learning in the Drug Discovery Process
| Autor: | Warmuth, Mk, Gunnar Rätsch, Mathieson, M., Liao, J., Lemmen, C. |
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| Rok vydání: | 2002 |
| Zdroj: | Advances in Neural Information Processing Systems 14 Scopus-Elsevier ResearcherID |
| Popis: | We investigate the following data mining problem from Computational Chemistry: From a large data set of compounds, find those that bind to a target molecule in as few iterations of biological testing as possible. In each iteration a comparatively small batch of compounds is screened for binding to the target. We apply active learning techniques for selecting the successive batches. |
| Databáze: | OpenAIRE |
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