From: The effect of noise on the predictive limit of QSAR models
Dataset/algorithm | Ridge | kNN | SVR | RF |
---|---|---|---|---|
G_298_atom | 11 ± 1.3 | 8.8 ± 1.4 | 8.9 ± 0.40 | 8.8 ± 1.6 |
Alpha | 6.6 ± 1.1 | 8.3 ± 1.3 | 7.3 ± 1.0 | 8.1 ± 1.3 |
Lip | 20 ± 12 | 17 ± 9.0 | 7.1 ± 1.9 | 13 ± 5.7 |
Solv | 5.8 ± 1.2 | 3.0 ± 0.23 | 3.3 ± 0.26 | 6.0 ± 0.84 |
BACE | 13 ± 7.7 | 10 ± 2.8 | 2.9 ± 0.44 | 11 ± 3.0 |
Tox_102 | 44 ± 3.1 | 9.2 ± 2.7 | –a | 43 ± 3.0 |
Tox_134 | 52* ± 3.1b | 14 ± 0.84 | 55 ± 3.3 | –a |
LD50 | –a | 9.7 ± 4.4 | 5.8 ± 1.2 | 15 ± 6.3 |