Table 2.
Names, definitions, and coefficients of descriptors appearing in the selected model
| Descriptor name | Type | Notation | Coefficient | |
|---|---|---|---|---|
| Constant | 18.22 | |||
| 1 | Centered Broto-Moreau autocorrelation - lag 5/weighted by charges | 2D-Autocorrelation | ATSC5c | 5.79 |
| 2 | Moran autocorrelation - lag 5/weighted by Sanderson electronegativities | 2D-Autocorrelation | MATS5e | -9.39 |
| 3 | Geary autocorrelation - lag 8/weighted by first ionization potential | 2D-Autocorrelation | GATS8i | 12.86 |
| 4 | Largest absolute eigenvalue of Barysz matrix - n 2 / weighted by relative polarizabilities | Barysz matrix | SpMax2_Bhp | -10.11 |
| 5 | Petitjean number | Petitjean number | PetitjeanNumber | 18.90 |
| 6 | XLogP | XLogP | XLogP | 1.55 |