Table 6 Definition of the descriptors in the QSAR model 1
Descriptor java class | Descriptor | Description | Class | Contribution |
|---|---|---|---|---|
Autocorrelation descriptor | AATS1i | Average Broto-Moreau autocorrelation–lag 1/weighted by first ionization potential | 2D | Positive |
Autocorrelation descriptor | ATSC4c | Centered Broto-Moreau autocorrelation–lag 4/weighted by charges | 2D | Negative |
Autocorrelation descriptor | ATSC3v | Centered Broto-Moreau autocorrelation–lag 3/weighted by van der Waals volumes | 2D | Negative |
Autocorrelation descriptor | MATS5p | Moran autocorrelation–lag 5/weighted by polarizabilities | 2D | Positive |
Autocorrelation descriptor | GATS6c | Geary autocorrelation–lag 6/weighted by charges | 2D | Positive |