Table 1 Bioconcentration factor-dataset statistics and performance measures. RMSE stands for Root-mean-square error; MAE stands for Mean absolute error
From: Methodology of aiQSAR: a group-specific approach to QSAR modelling
Endpoint | BCF |
Endpoint type | Regression |
Number of compounds | 1003 |
Range of values | − 1.70 to 6.06 |
RMSE | 0.74 |
R2 | 0.72 |
MAE | 0.53 |