2011 Fiscal Year Final Research Report
Quick Mining of Molecular Graph Using Path Fragment
| Project/Area Number |
21700159
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| Research Category |
Grant-in-Aid for Young Scientists (B)
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| Allocation Type | Single-year Grants |
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| Research Field |
Intelligent informatics
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| Research Institution | Kanazawa Technical College |
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Principal Investigator |
FUJISHIMA Satoshi 金沢工業高等専門学校, 電気電子工学科, 准教授 (10411787)
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| Project Period (FY) |
2009 – 2011
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| Keywords | パスフラグメント / 分子グラフ / 薬物構造データマイニング / 薬物活性クラス |
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| Research Abstract |
A quick approach to chemical structure data mining using path fragments ware proposed. The molecular graph of each drug is featured by the path fragments and the frequent path fragments that are specific to individual drug actions were analyzed. We could obtain characteristic fragments for each activity. The applicability of the SVM based on the path fragments for classification of pharmacological activities of drugs was validated.
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