Table 2 Weighted Burden number molecular descriptors selected by applying PCA
From: Feature optimization in high dimensional chemical space: statistical and data mining solutions
Serial no. | PCA descriptors |
|---|---|
1. | WBN GC H 0.75 |
2. | WBN GC L 1.00 |
3. | WBN GC H 1.00 |
4. | WBN EN L 0.50 |
5. | WBN EN L 0.75 |
6. | WBN EN H 0.75 |
7. | WBN EN L 1.00 |
8. | WBN EN H 1.00 |
9. | WBN LP L 0.50 |
10. | WBN LP H 0.50 |
11. | WBN LP L 0.75 |
12. | WBN LP H 0.75 |
13. | WBN LP L 1.00 |
14. | WBN LP H 1.00 |