| Presentation | 2014/6/18 Drug clearance pathway prediction using semi-supervised learning KEISUKE YANAGISAWA, TAKASHI ISHIDA, YUTAKA AKIYAMA, |
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| PDF Download Page | PDF download Page Link |
| Abstract(in Japanese) | (See Japanese page) |
| Abstract(in English) | Nowadays, drug development requires too much time and budget, and it is necessary to reduce them. In order to accept a compound as a new drug, it must be confirmed that it is metabolized and excreted. In this respect, one of the computational methods used for selecting compounds is drug clearance pathway prediction. This prediction method uses well-known drug's clearance pathway data as a training set. However data is expensive to get, and thus there are too few data. For this reason, we evaluated the usefulness of semi-supervised learning in this prediction problem, and tried to improve accuracy of this clearance pathway prediction. We also tried to add some features of compounds which are selected from 802 features by greedy algorithm to improve accuracy and evaluated their effect. |
| Keyword(in Japanese) | (See Japanese page) |
| Keyword(in English) | drug clearance pathway prediction / drug discovery assistance / machine learning / semi-supervised learning |
| Paper # | Vol.2014-MPS-98 No.10,Vol.2014-BIO-38 No.10 |
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| Conference Information | |
| Committee | NC |
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| Conference Date | 2014/6/18(1days) |
| Place (in Japanese) | (See Japanese page) |
| Place (in English) | |
| Topics (in Japanese) | (See Japanese page) |
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| Paper Information | |
| Registration To | Neurocomputing (NC) |
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| Language | JPN |
| Title (in Japanese) | (See Japanese page) |
| Sub Title (in Japanese) | (See Japanese page) |
| Title (in English) | Drug clearance pathway prediction using semi-supervised learning |
| Sub Title (in English) | |
| Keyword(1) | drug clearance pathway prediction |
| Keyword(2) | drug discovery assistance |
| Keyword(3) | machine learning |
| Keyword(4) | semi-supervised learning |
| 1st Author's Name | KEISUKE YANAGISAWA |
| 1st Author's Affiliation | Graduate School of Information Science and Engineering, Tokyo Institute of Technology() |
| 2nd Author's Name | TAKASHI ISHIDA |
| 2nd Author's Affiliation | Graduate School of Information Science and Engineering, Tokyo Institute of Technology |
| 3rd Author's Name | YUTAKA AKIYAMA |
| 3rd Author's Affiliation | Graduate School of Information Science and Engineering, Tokyo Institute of Technology:Education Academy of Computational Life Sciences, Tokyo Institute of technology |
| Date | 2014/6/18 |
| Paper # | Vol.2014-MPS-98 No.10,Vol.2014-BIO-38 No.10 |
| Volume (vol) | vol.114 |
| Number (no) | 104 |
| Page | pp.pp.- |
| #Pages | 6 |
| Date of Issue | |