Table 4.
Source | Model | Training Set | Validation Set | |||
---|---|---|---|---|---|---|
N | R2 | Q2 | N | R2PRED | ||
This study | PLS | 55 | 0.70 | 0.57 | 22 | 0.78 |
Roy et al. 2018 [77] | MLR | 284 | 0.52–0.74 | 0.50–0.71 | 142 | 0.50–0.63 |
Niraj et al. 2015 [78] | PLS | 24 | 0.78 | 0.70 | 11 | 0.66 |
PLS: Partial least squares; MLR: Multiple linear regression; GFA: Genetic Function Approximation; N: number of compounds.