Table 3.
Descriptor contributions to the first three principal components F1, F2 and F3.
| Descriptor | F1 |
F2 |
F3 |
|||
|---|---|---|---|---|---|---|
| Correlation | Contribution |
Correlation | Contribution |
Correlation | Contribution |
|
| % | % | % | ||||
| Ci/M | 0.0998 | 0.1711 | -0.4971 | 5.5329 | -0.4409 | 6.0253 |
| EHOMO/eV | 0.8526 | 12.4849 | 0.4827 | 5.2167 | 0.0058 | 0.0010 |
| ELUMO/eV | -0.2350 | 0.9487 | 0.9364 | 19.6318 | 0.1284 | 0.5112 |
| EL-H/eV | -0.9591 | 15.7973 | 0.1617 | 0.5854 | 0.0269 | 0.0224 |
| μ/D | 0.3296 | 1.8659 | -0.4534 | 4.6026 | 0.2460 | 1.8754 |
| IP/eV | -0.8431 | 12.2079 | -0.5141 | 5.9179 | 0.0294 | 0.0268 |
| EA/eV | 0.2350 | 0.9487 | -0.9364 | 19.6318 | -0.1284 | 0.5112 |
| Χ/eV | -0.4476 | 3.4407 | -0.8859 | 17.5709 | -0.0530 | 0.0870 |
| ƞ/eV | -0.9578 | 15.7567 | 0.1968 | 0.8670 | 0.0602 | 0.1123 |
| σ/eV−1 | 0.9662 | 16.0331 | -0.1679 | 0.6313 | -0.0736 | 0.1681 |
| ΔN | 0.9149 | 14.3753 | 0.3799 | 3.2306 | -0.0170 | 0.0090 |
| ω/eV | 0.4053 | 2.8212 | -0.7382 | 12.2001 | -0.1616 | 0.8093 |
| Log P | -0.0928 | 0.1478 | -0.1628 | 0.5934 | 0.8744 | 23.7032 |
| M/g.mol−1 | 0.0269 | 0.0124 | -0.1627 | 0.5928 | 0.9449 | 27.6791 |
| Vm/cm3.mol−1 | 0.0825 | 0.1168 | -0.0147 | 0.0048 | 0.9589 | 28.5038 |