Table 2. Statistic evaluations and validation of SVM-Score.
Training Set | Test Set | |
---|---|---|
n | 24 | 13 |
r2, q2 | 0.967 | 0.894 |
0.899 | N/A† | |
ΔMax | 0.667 | 0.729 |
MAE | 0.244 | 0.391 |
s | 0.170 | 0.202 |
RMSE | 0.295 | 0.437 |
Eq. (1) | x | x |
Eq. (2) | x | N/A† |
Eq. (3) | x | N/A |
Eq. (4) | x | x |
Eq. (5) | x | x |
Eq. (6) | x | x |
Eq. (7) | N/A | x |
†Not applicable.
Statistic evaluations of SVM-Score, namely correlation coefficients (r2 and q2), 10-fold cross-validation correlation coefficient (), maximal absolute residual (ΔMax), mean absolute error (MAE), standard deviation (s), and RMSE as well as validation in the training set and test set.