| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity ou Woody |
3.0 < N% < 13.0 et 1.0 < nCsp2 < 4.0 ou 0.021 < X% < 0.054 et 9.0 < nOHs < 26.0 ou 3.719 < Ui et 7.0 < H% < 24.0 ou 2.0 < nRCOOH < 42.0 et nHet < 8.0 et nCrt < 3.0 ou 23.0 < nC < 24.0 |
52.0 | 610 | 759 | 1024 | |
| 2 | Fruity ou Vanilin |
1.0 < nHet < 8.0 et 3.0 < N% < 13.0 et 1.0 < nCsp2 < 4.0 et 2.0 < nR03 < 8.0 et 1.014 < Ui < 3.43 ou 6.24 < Sv < 6.244 ou 23.0 < nC < 24.0 ou nCs = 12.0 ou nRCOOH = 33.0 et 0.077 < X% |
51.47 | 455 | 594 | 745 | |
| 3 | Fruity | 5.131 < Sv < 8.792 et 1.0 < nHet < 8.0 et 2.0 < N% < 18.0 et 0.114 < X% et 1.0 < nCsp2 < 4.0 et 2.0 < nR03 < 8.0 |
49.12 | 423 | 570 | 714 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| 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 | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| nRCOOH | number of carboxylic acids (aliphatic) | Functional group counts | Basic descriptors | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nC | number of Carbon atoms | 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 |