Table 2.
Parameters | Regression Model | Ensemble Model | |
---|---|---|---|
SVR_A | SVR_B | ||
No. of descriptors | 11 | 8 | _ |
R2 (training) | 0.83 | 0.81 | 0.88 |
RMSE (training) | 0.111 | 0.127 | 0.093 |
MAE (training) | 0.221 | 0.226 | 0.199 |
MAECV(5-Fold) | 0.484 | 0.486 | 0.480 |
R2 (test) | 0.92 | 0.85 | 0.95 |
RMSE (test) | 0.056 | 0.096 | 0.041 |
MAE (test) | 0.191 | 0.250 | 0.155 |
CCC (test) | 0.968 | 0.946 | 0.978 |
R2 (external test) | 0.74 | 0.88 | 0.92 |
RMSE (external test) | 0.132 | 0.123 | 0.061 |
MAE (external test) | 0.320 | 0.319 | 0.202 |
CCC (external test) | 0.898 | 0.931 | 0.961 |
0.945 | 0.906 | 0.960 | |
0.943 | 0.903 | 0.958 | |
0.510 | 0.536 | 0.560 | |
0.955 | 0.981 | 0.975 | |
1.041 | 1.007 | 1.021 |