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)
|
Allocation Type | Single-year Grants |
Research Field |
Intelligent informatics
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Research Institution | Kanazawa Technical College |
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)
|
Project Period (FY) |
2009 – 2011
|
Project Status |
Completed (Fiscal Year 2011)
|
Budget Amount *help |
¥1,820,000 (Direct Cost: ¥1,400,000、Indirect Cost: ¥420,000)
Fiscal Year 2011: ¥520,000 (Direct Cost: ¥400,000、Indirect Cost: ¥120,000)
Fiscal Year 2010: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
Fiscal Year 2009: ¥650,000 (Direct Cost: ¥500,000、Indirect Cost: ¥150,000)
|
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 / 簡易マイニング / 化学構造データマイニング / 薬理活性クラス / パスフラグメントグループ / 頻度分布 |
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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Report
(4 results)
Research Products
(6 results)