| Presentation | 2003/9/7 Knowledge Discovery using Attributes from 3D Molecular Structures : Importance of Active User's Response Takashi OKADA, Masumi YAMAKAWA, Hirotaka NIITSUMA, Naomi KAMIGUCHI, |
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| PDF Download Page | PDF download Page Link |
| Abstract(in Japanese) | (See Japanese page) |
| Abstract(in English) | Active responses from experts plays an essential role in the knowledge discovery of SAR (structure activity relationships) from drug data. Experts often think of hypotheses, and they want to reflect these ideas to the attribute generation and selection process. Authors have analyzed SAR of dopamine antagonists using the cascade model. In this paper, we generated attributes indicating the presence of hydrogen-bonded fragments from 3D coordinates of molecules, which were suggested by experts. The selection of attributes by experts has been shown to be useful in obtaining valuable knowledge. |
| Keyword(in Japanese) | (See Japanese page) |
| Keyword(in English) | Attribute Generation and Selection / Cascade Model / Dopamine / 3D Molecular Structure / Hydrogen-bond |
| Paper # | AI2003-37 |
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| Conference Information | |
| Committee | AI |
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| Conference Date | 2003/9/7(1days) |
| Place (in Japanese) | (See Japanese page) |
| Place (in English) | |
| Topics (in Japanese) | (See Japanese page) |
| Topics (in English) | |
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| Paper Information | |
| 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) | Knowledge Discovery using Attributes from 3D Molecular Structures : Importance of Active User's Response |
| Sub Title (in English) | |
| Keyword(1) | Attribute Generation and Selection |
| Keyword(2) | Cascade Model |
| Keyword(3) | Dopamine |
| Keyword(4) | 3D Molecular Structure |
| Keyword(5) | Hydrogen-bond |
| 1st Author's Name | Takashi OKADA |
| 1st Author's Affiliation | Department of Informatics, Kwansei Gakuin University() |
| 2nd Author's Name | Masumi YAMAKAWA |
| 2nd Author's Affiliation | Department of Informatics, Kwansei Gakuin University |
| 3rd Author's Name | Hirotaka NIITSUMA |
| 3rd Author's Affiliation | Department of Informatics, Kwansei Gakuin University |
| 4th Author's Name | Naomi KAMIGUCHI |
| 4th Author's Affiliation | Osaka Research Ctr., Takeda Chemical Industries |
| Date | 2003/9/7 |
| Paper # | AI2003-37 |
| Volume (vol) | vol.103 |
| Number (no) | 304 |
| Page | pp.pp.- |
| #Pages | 5 |
| Date of Issue | |