Table 3.
The results of linear regression for training database, blind test and the entire dataset
Database | Slope | R value | RMSD | Mean of ΔΔGcal | SD |
---|---|---|---|---|---|
Training database | 1.0026 | 0.28 | 1.79 | −1.2 | 0.51 |
Blind test | 1.0868 | 0.34 | 1.76 | −1.17 | 0.58 |
Entire dataset | 1.0382 | 0.3 | 1.78 | −1.19 | 0.54 |