| Budget Amount *help |
¥34,710,000 (Direct Cost: ¥26,700,000、Indirect Cost: ¥8,010,000)
Fiscal Year 2009: ¥12,090,000 (Direct Cost: ¥9,300,000、Indirect Cost: ¥2,790,000)
Fiscal Year 2008: ¥13,000,000 (Direct Cost: ¥10,000,000、Indirect Cost: ¥3,000,000)
Fiscal Year 2007: ¥9,620,000 (Direct Cost: ¥7,400,000、Indirect Cost: ¥2,220,000)
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| Research Abstract |
In this project, we studied a new approach for design of novel chemical compounds by combining graph theory and kernel methods. We developed branch-and-bound algorithms for enumerating tree-like chemical structures from a given feature vector consisting of frequency of labeled paths, dynamic programming-based algorithms for enumerating stereoisomers from a given tree-like or outer-planar chemical structure, and kernel functions that can discriminate stereoisomers. Some of these algorithms were implemented in a newly developed web server.
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