| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity ou Herbaceous ou Waxy ou Woody |
0.114 < X% ou 13.0 < nR=Cp < 38.0 et 0.874 < Ui < 3.551 ou 6.0 < nAT < 52.0 |
62.86 | 960 | 1022 | 1465 | |
| 2 | Fruity ou Oily ou Vanilin ou Woody |
4.74 < Sv < 6.276 ou 2.0 < nR03 et nHet < 8.0 et nCrt = 3.0 |
59.11 | 879 | 931 | 1435 | |
| 3 | Fruity ou Herbaceous ou Vanilin ou Waxy |
19.0 < nAB < 21.0 ou 0.114 < X% < 0.314 et 1.0 < nR03 et 0.874 < Ui < 3.551 |
57.32 | 720 | 894 | 1082 | |
| 4 | Fruity ou Musk ou Spicy ou Woody |
4.96 < Sv < 6.241 ou 2.0 < nR03 < 8.0 et 1.0 < nCsp2 ou 22.0 < nCs < 24.0 |
55.5 | 812 | 875 | 1400 | |
| 5 | Fruity ou Spicy ou Waxy ou Woody |
3.0 < N% et 1.0 < nR03 ou 0.021 < X% < 0.083 et 1.014 < Ui < 4.052 |
55.09 | 784 | 889 | 1318 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors |