Table 1.
Dock score and quantitative structure–activity relationship values
| Name | Dock score | Predicted activity
|
||
|---|---|---|---|---|
| Support vector machine | Multiple linear regression | Bayes Net Toolbox | ||
| Aknadicine | 68.69 | 6.83 | 14.92 | 7.13 |
| 16beta-Hydroxy-19s-vindolinine N-oxide | 59.16 | 6.84 | 14.51 | 17.26 |
| beta-Peltatin | 55.49 | 6.92 | 13.17 | 9.05 |
| clemaphenol_A | 54.34 | 6.85 | 12.10 | 9.10 |
| gomisin_J | 54.19 | 6.95 | 13.01 | 9.41 |
| Schisanlignone B | 52.21 | 6.89 | 12.38 | 9.02 |
| beta-Peltatin | 51.19 | 6.89 | 12.06 | 8.50 |
| Ribalinium | 46.63 | 6.74 | 12.96 | 8.05 |
| Gomisin J | 47.03 | 6.96 | 13.27 | 9.52 |
| Yadanzioside N | 44.97 | 6.84 | 13.32 | 8.78 |
| SB-590885* | 31.51 | 6.79 | 7.87 | 12.16 |