Table 5.
Description of the model descriptors.
Descriptor Class | Description | Descriptor code |
---|---|---|
2D | Centered Broto-Moreau autocorrelation - lag 6/weighted by charges | ATSC6c |
2D | Moran autocorrelation - lag 3/weighted by first ionization potential | MATS3i |
2D | Largest absolute eigenvalue of Burden modified matrix - n 5/weighted by relative Sanderson electronegativities | SpMax5_Bhe |
2D | Minimum atom-type E-State: –OH | minsOH |
2D | Logarithmic coefficient sum of the last eigenvector from Barysz matrix/weighted by atomic number | VE3_D |