From: The effect of noise on the predictive limit of QSAR models
Dataset | No σy | No σy | With σy | With σy |
---|---|---|---|---|
Mean σy | σy 95% CI | Mean σy | σy 95% CI | |
G_298_atom | 1.0 | 0.40 | 0.52 | − 0.10 |
Alpha | 1.1 | 0.16 | 0.44a | 0.32a |
Solv | 0.94 | − 0.19 | 0.10 | 0.10 |
BACE | 0.25 | 0.38 | − 0.12 | − 0.35 |
Tox_102 | 0.32 | 0.028 | − 0.96 | − 0.48 |
Tox_134 | 0.49 | 0.53 | − 0.66 | − 0.17 |
LD50 | 0.66 | − 0.39 | − 0.60 | 0.14 |