S/No | Identity of molecular properties | Descriptor sign | Class | % Contribution |
---|---|---|---|---|
1 | An averaged Moreau-Broto autocorrelation of lag 1 weighted by vdw volume | AATS1v | 2D | 48%, and negative contribution (0.08492) |
2 | An averaged Moreau-Broto autocorrelation of lag 3 weighted by vdw volume | AATS3v | 2D | 34%, and positive contribution (0.07988) |
3 | A Geary autocorrelation coefficient lag1 which is weighted by atomic mass | GATS4m | 2D | 12%, and negative contribution (6.73046) |
4 | Geary autocorrelation—lag 6/weighted by atomic Sanderson electronegativities | GATS6e | 2D | 6%, and negative contribution (2.84241) |