Table 4.
Descriptors selected by random forest to predict bond dissociation energies
| Group of descriptors | Available | Selected |
|---|---|---|
| CN point desc. |
56 |
39 |
| Element pair desc. |
45 |
23 |
| Aromatic fragment point desc. |
10 |
10 |
| No-type pair desc. |
15 |
15 |
| π Total number desc. | 3 | 3 |