Table 8. Statistics from Computed Dipole Moment Magnitudes for Single Molecules from the S66 and JSCH-2005 Data Sets.
| statistical descriptors | UBDB | AM1-BCC | RESP | CGenFF |
|---|---|---|---|---|
| R2 | 0.94 | 0.93 | 0.99 | 0.88 |
| RMSE (Debye) | 0.56 | 0.68 | 0.46 | 0.92 |
| MAE (Debye) | 0.3 | 0.5 | 0.3 | 0.7 |
| ME (Debye) | 0.2 | 0.3 | 0.3 | 0.5 |