| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity ou Herbaceous ou Waxy ou Woody |
ZM2V < 0.0 et 2.917 < MPC02 < 10.7 et 2.236 < piPC02 < 5.745 et 3.296 < SM6_X < 7.407 |
62.18 | 847 | 1022 | 1187 | |
| 2 | Fruity ou Herbaceous ou Vanilin ou Waxy |
0.114 < X% < 0.314 et 0.075 < Vindex < 0.225 et 3.296 < SM6_X < 7.4 et 1.031 < VE2_D/Dt < 1.658 |
56.8 | 693 | 894 | 1019 | |
| 3 | Citrus ou Fruity ou Leafy ou Woody |
0.867 < CID < 1.506 et 2.968 < IVDE < 13.407 et 1.388 < IC3 < 5.066 et 3.497 < SM6_X < 7.2 |
54.15 | 651 | 861 | 992 | |
| 4 | Fruity | 0.202 < HDcpx < 0.224 ou 3.301 < IC3 < 4.862 et 2.9 < D/Dtr11 < 25.0 et 1.436 < SpAD_A < 3.041 |
52.41 | 467 | 570 | 788 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| piPC02 | molecular multiple path count of order 2 | Walk and path counts | Multiple path counts | |
| MPC02 | molecular path count of order 2 (Gordon-Scantlebury index) | Walk and path counts | Path counts | |
| ZM2V | second Zagreb index by valence vertex degrees | Topological indices | Vertex degree-based indices | |
| CID | Randic ID number | Walk and path counts | ID numbers | |
| HDcpx | graph distance complexity index (log function) | Information indices | Basic descriptors | |
| IC3 | Information Content index (neighborhood symmetry of 3-order) | Information indices | Indices of neighborhood symmetry | |
| SM6_X | spectral moment of order 6 from chi matrix | 2D matrix-based descriptors | Chi matrix (X) | |
| D/Dtr11 | distance/detour ring index of order 11 | Ring descriptors | Basic descriptors | |
| SpAD_A | spectral absolute deviation from adjacency matrix | 2D matrix-based descriptors | Adjacency matrix (A) | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| VE2_D/Dt | average coefficient of the last eigenvector from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| IVDE | mean information content on the vertex degree equality | Information indices | Basic descriptors | |
| Vindex | Balaban V index | Information indices | Basic descriptors |