Selected descriptors used in the QSAR modela.
Descriptors | Description | Class | MLR of the selected descriptors |
---|---|---|---|
AATS6p | Average Broto–Moreau autocorrelation – lag 6/weighted by polarizabilities | 2D | RSE: 0.02785 |
AATS7p | Average Broto–Moreau autocorrelation – lag 7/weighted by polarizabilities | 2D | Multiple R-squared: 0.9982 |
AATS8p | Average Broto–Moreau autocorrelation – lag 8/weighted by polarizabilities | 2D | Adjusted R-squared: 0.9894 |
AATS0i | Average Broto–Moreau autocorrelation – lag 0/weighted by first ionization potential | 2D | F-Statistic: 112.8 |
SpMax4_Bhv | Largest absolute eigenvalue of Burden modified matrix – n 4/weighted by relative van der Waals volumes | 2D | p-Value: 0.07135 |
MLR: multiple linear regression; RSE: residual standard error.