Serial number | Statistical parameter | Results | |
---|---|---|---|
2D QSAR by MLR | 3D QSAR by kNN | ||
1 | r 2 | 0.97 | – |
2 | r _ 2se | 0.19 | – |
3 | q 2 | 0.94 | 0.89 |
4 | q _ 2se | 0.29 | 0.26 |
5 | pred_r2 | 0.62 | 0.97 |
6 | pred_r2se | 0.43 | 0.15 |
7 | F-test | 60.77 | – |
8 | N | 12 | 18 |
9 | Nearestneighbor | – | 2 |
10 | Degree of freedom | 7 | 15 |
11 | Contributing descriptors | SaasCcount (36.12%) Quadrupole2 (16.06%)T_2_Cl_6 (16.72%) XAMostHydrophobicHydrophilicDistance(31.10%) | H_171 (0.429396, 0.437677) E_587 (−0.026282, –0.019153) |