Table 4 A description of the descriptor used in the model and the MF
S/N | Descriptor | Description | Class | bj | MF |
|---|---|---|---|---|---|
1 | ATSC5i | Centered Broto-Moreau autocorrelation—lag 5/weighted by first ionization potential | 2D | − 0.002 | 0.032 |
2 | SpMin3_Bhs | Smallest absolute eigenvalue of Burden-modified matrix—n 3/weighted by the relative I-state | 2D | 47.197 | 1.592 |
3 | SpMax3_Bhs | Largest absolute eigenvalue of Burden-modified matrix—n 3/weighted by relative I-state | 2D | 23.739 | 1.594 |
4 | MDEN33 | Molecular distance edge between all tertiary nitrogens | 2D | 13.269 | 0.0273 |
5 | piPC3 | Conventional bond order ID number of order 3 (ln(1 + x) | 2D | − 23.437 | − 2.246 |