| Budget Amount *help |
¥3,800,000 (Direct Cost: ¥3,200,000、Indirect Cost: ¥600,000)
Fiscal Year 2009: ¥1,170,000 (Direct Cost: ¥900,000、Indirect Cost: ¥270,000)
Fiscal Year 2008: ¥1,430,000 (Direct Cost: ¥1,100,000、Indirect Cost: ¥330,000)
Fiscal Year 2007: ¥1,200,000 (Direct Cost: ¥1,200,000)
|
|---|
| Research Abstract |
In the present work, to describe 3D structural feature of a molecule, Geometrical Fragment Spectra (GFS) method has been proposed. Based on the GFS representation, structure similarity search was carried out for odorant molecules. As a result, the authors successfully found the molecules that have similar odor but quite different topological structure with a query molecule. We also tried to apply the method to structure similarity searching for proteins using a reduced representation of protein structures. The results show that the present approach is quite useful for 3D structural data mining for proteins.
|
