Table 1.
For the total number of new experimental measurements (Ntotal), coefficient of determination (R2), root mean square error (RMSE) and mean absolute error (MAE) values between the number of new experimental measurements and previously measured values (Nprevious) for octanol-water partition coefficient (log(Kow)), vapor pressure (VP), water solubility (WS), and Henry’s Law Constant (HLC).
Ntotal | Nprevious | R2 | RMSE | MAE | |
---|---|---|---|---|---|
log(Kow) | 176 | 32 | 0.77 | 7.71E-01 | 6.21E-01 |
log(VP) | 168 | 33 | 0.66 | 2.10E+00 | 1.49E+00 |
log(WS) | 129 | 36 | 0.55 | 9.32E-01 | 8.12E-01 |
Iog(HLC) | 110 | 23 | 0.69 | 2.07E+00 | 1.82E+00 |