Table 1.
PLS | r2a | SDb | Fc | Pd | RMSEe | Q2f | R-Pearsong |
---|---|---|---|---|---|---|---|
1 | 0.179 | 0.793 | 54.7 | 2.13e-12 | 0.532 | 0.382 | 0.647 |
2 | 0.387 | 0.687 | 78.8 | 2.94e-27 | 0.470 | 0.518 | 0.738 |
3 | 0.574 | 0.573 | 112.0 | 6.40e-46 | 0.469 | 0.521 | 0.763 |
4 | 0.737 | 0.452 | 173.4 | 1.31e-70 | 0.382 | 0.681 | 0.829 |
5 | 0.831 | 0.363 | 242.8 | 3.65e-93 | 0.338 | 0.751 | 0.868 |
6 | 0.872 | 0.316 | 279.6 | 8.18e-107 | 0.327 | 0.767 | 0.883 |
7 | 0.911 | 0.264 | 357.9 | 9.14e-125 | 0.301 | 0.802 | 0.901 |
r2, value of r2 of the regression.
SD, standard deviation of the regression.
F, variance ratio.
P, significance level of variance ratio.
RMSE, root-mean-square error.
Q2: value of Q2 for the predicted activities.
R: r-Pearson, correlation between the predicted and observed selectivity index values for the test set.