Presentation | 2003/9/7 Classification of Pharmacological Activity of Drugs Using Support Vector Machines Yoshimasa TAKAHASHI, Katsumi NISHIKOORI, Satoshi FUJISHIMA, |
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Abstract(in Japanese) | (See Japanese page) |
Abstract(in English) | In the present work, we investigated an applicability of Support Vector Machine (SVM) for classification of pharmacological activities of drugs. The numerical description of chemical structure of each drug was based the Topological Fragment Spectra (TFS) which was reported in our preceding work. Dopamine antagonists of 1,228 that interact with different type of receptors (D1, D2, D3 and D4) were used for training the SVM. For a prediction set of 136 drugs that were not contained in the training set, the SVM model classified 89.8% of the drugs into their own activity classes correctly. |
Keyword(in Japanese) | (See Japanese page) |
Keyword(in English) | Pattern Classification / SVM / Dopamine Antagonists / Topological Fragment Spectra / Structure-Activity Relationship / Risk Report |
Paper # | AI2003-42 |
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Committee | AI |
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Conference Date | 2003/9/7(1days) |
Place (in Japanese) | (See Japanese page) |
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Registration To | Artificial Intelligence and Knowledge-Based Processing (AI) |
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Language | ENG |
Title (in Japanese) | (See Japanese page) |
Sub Title (in Japanese) | (See Japanese page) |
Title (in English) | Classification of Pharmacological Activity of Drugs Using Support Vector Machines |
Sub Title (in English) | |
Keyword(1) | Pattern Classification |
Keyword(2) | SVM |
Keyword(3) | Dopamine Antagonists |
Keyword(4) | Topological Fragment Spectra |
Keyword(5) | Structure-Activity Relationship |
Keyword(6) | Risk Report |
1st Author's Name | Yoshimasa TAKAHASHI |
1st Author's Affiliation | Department of Knowledge-based Inforamtion Engineering, Toyohashi University of Technology() |
2nd Author's Name | Katsumi NISHIKOORI |
2nd Author's Affiliation | Department of Knowledge-based Inforamtion Engineering, Toyohashi University of Technology |
3rd Author's Name | Satoshi FUJISHIMA |
3rd Author's Affiliation | Department of Knowledge-based Inforamtion Engineering, Toyohashi University of Technology |
Date | 2003/9/7 |
Paper # | AI2003-42 |
Volume (vol) | vol.103 |
Number (no) | 304 |
Page | pp.pp.- |
#Pages | 4 |
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