| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | Fruity ou Herbaceous ou Waxy ou Woody |
1.0 < nHet < 8.0 et 1.0 < nCsp2 < 4.0 |
61.55 | 879 | 1022 | 1285 | |
| 2 | Fruity ou Oily ou Spicy ou Woody |
4.94 < Sv < 8.424 et 1.0 < nCsp2 |
58.79 | 852 | 980 | 1321 | |
| 3 | Fruity ou Herbaceous ou Vanilin ou Waxy |
0.114 < X% < 0.314 et 1.0 < nR03 et 0.874 < Ui < 3.551 |
55.97 | 684 | 894 | 1012 | |
| 4 | Citrus ou Fruity ou Leafy ou Woody |
4.939 < Sv < 8.408 et 7.0 < H% < 24.0 et 1.0 < nCsp2 < 3.0 et 1.174 < Ui < 3.523 |
54.48 | 687 | 861 | 1087 | |
| 5 | Camphor ou Fatty ou Fruity ou Herbaceous |
140.2 < MW < 249.39 et nCL < 17.0 et 13.0 < nR=Cp < 84.0 et 1.055 < Ui < 3.471 |
51.94 | 693 | 943 | 1084 | |
| 6 | Fruity ou Spicy ou Waxy ou Woody |
3.0 < N% et 1.0 < nR03 et 14.0 < nCs < 45.0 et 1.014 < Ui < 3.551 |
51.78 | 667 | 889 | 1066 | |
| 7 | Fruity ou Oily ou Vanilin ou Woody |
0.038 < X% < 0.314 et 1.0 < nCsp2 < 4.0 et 2.0 < nR03 et 1.014 < Ui < 4.052 |
50.53 | 611 | 931 | 889 | |
| 8 | Fruity ou Musk ou Spicy ou Woody |
5.131 < Sv < 8.597 et 1.0 < nCsp2 et 2.0 < nR03 < 8.0 |
49.29 | 594 | 875 | 924 | |
| 9 | Earthy ou Ethereal ou Floral ou Oily |
2.0 < N% < 13.0 et 0.05 < X% < 0.304 et 0.348 < Ui < 3.889 |
48.53 | 698 | 844 | 1292 | |
| 10 | Floral ou Nut ou Winey ou Woody |
17.0 < nAT < 62.0 et 13.0 < H% et 9.0 < nR=Cp < 125.0 |
47.94 | 618 | 775 | 1132 | |
| 11 | Fruity | nArNHR < 3.0 ou 18.0 < nOHs < 26.0 et 3.0 < N% < 13.0 et 2.0 < nR03 |
46.82 | 405 | 570 | 700 | |
| 12 | Earthy ou Ethereal ou Floral ou Woody |
0.04 < X% < 0.212 | 44.86 | 586 | 837 | 1055 | |
| 13 | Ethereal ou Floral ou Leafy ou Winey |
2.0 < N% < 13.0 et 0.08 < X% < 0.304 et 1.0 < nR03 < 3.0 |
44.25 | 574 | 735 | 1136 | |
| 14 | Floral ou Medicinal ou Minty ou Winey |
17.0 < nAT < 62.0 et 1.0 < nHet < 15.0 et 14.0 < nOHs |
43.15 | 571 | 672 | 1222 | |
| 15 | Earthy ou Floral ou Medicinal ou Winey |
152.26 < MW < 160.23 et 15.0 < nO < 54.0 et 1.0 < nHet < 15.0 et 13.0 < H% < 36.0 |
43.06 | 525 | 675 | 1069 | |
| 16 | Camphor ou Ethereal ou Floral ou Green |
6.719 < Sv < 10.429 et nHet < 8.0 et H% < 17.0 et Ui < 3.338 |
42.66 | 550 | 904 | 935 | |
| 17 | Balsamic ou Ethereal ou Green ou Nut |
nAT < 50.0 et 2.0 < N% < 12.0 et nR=Cp < 77.0 et Ui < 3.297 |
42.26 | 549 | 653 | 1195 | |
| 18 | Balsamic ou Ethereal ou Green ou Pineapple |
2.0 < N% et 0.041 < X% < 0.286 |
41.24 | 572 | 651 | 1308 | |
| 19 | Floral ou Minty ou Piney ou Winey |
22.0 < nAT < 62.0 et 7.0 < nSH et 3.0 < nPyridines et 1.055 < Ui |
41.07 | 529 | 663 | 1154 | |
| 20 | Balsamic ou Caramelic ou Ethereal ou Green |
0.083 < X% < 0.275 | 40.87 | 533 | 660 | 1177 | |
| 21 | Berry ou Fatty ou Herbaceous ou Woody |
132.17 < MW < 252.49 et 18.0 < nAT < 54.0 et H% < 22.0 et 14.0 < nArCOOR < 22.0 |
40.29 | 490 | 678 | 1028 | |
| 22 | Ethereal ou Green ou Pineapple ou Spicy |
MW < 254.46 et 5.0 < H% < 23.0 et 0.037 < X% < 0.308 et 0.94 < Ui < 3.301 |
40.16 | 529 | 638 | 1208 | |
| 23 | Musk | X% < 0.103 et 3.593 < Ui < 3.737 ou nHet = 10.0 et 35.0 < nO < 50.0 |
38.18 | 21 | 52 | 24 | |
| 24 | Caramelic ou Floral ou Nut |
5.283 < Sv et 3.0 < nHet < 15.0 et 8.5 < H% < 36.0 et X% < 0.261 |
38.06 | 373 | 565 | 788 | |
| 25 | Floral | 3.0 < nHet ou nR03 = 1.0 et 9.0 < nCL < 27.0 et 1.141 < Ui < 3.889 |
37.85 | 388 | 476 | 937 | |
| 26 | Ethereal ou Minty ou Musk ou Oily |
nHet < 2.0 et nArNHR = 3.0 |
37.83 | 328 | 483 | 712 | |
| 27 | Camphor ou Ethereal ou Green ou Spicy |
5.127 < Sv < 6.71 et nHet < 8.0 et nCrt < 3.0 |
37.64 | 477 | 656 | 1088 | |
| 28 | Minty ou Musk ou Oily ou Pineapple |
4.74 < Sv < 6.092 et nHet < 2.0 et 17.0 < nR=Cp et nArNHR < 3.0 |
33.73 | 223 | 399 | 485 | |
| 29 | Ethereal ou Sour et |
32.05 < MW < 134.2 et nAT < 27.0 et nCL < 8.0 et nHet < 2.0 |
33.45 | 91 | 161 | 202 | |
| 30 | Ethereal et |
130.16 < MW < 130.21 ou 6.554 < Sv < 6.557 ou H% < 8.0 ou 2.449 < Ui < 2.466 |
31.22 | 79 | 136 | 196 | |
| 31 | Oily | 6.056 < Sv < 8.424 et 0.231 < X% < 0.31 et 17.0 < nR=Cp < 27.0 ou 140.25 < MW < 143.2 |
31.11 | 126 | 232 | 299 | |
| 32 | Acid ou Ethereal et |
32.05 < MW < 134.2 et nAT < 27.0 et nHet < 2.0 et nArCOOR < 11.0 |
30.43 | 77 | 145 | 185 | |
| 33 | Apple ou Oily ou Woody |
4.74 < Sv < 5.399 et 26.0 < nAB |
28.67 | 193 | 492 | 374 | |
| 34 | Ambre ou Camphor ou Oily ou Tea |
Sv < 5.399 | 28.17 | 173 | 346 | 441 | |
| 35 | Woody | X% < 0.083 et 3.0 < nArOH < 4.0 ou H% = 15.5 ou 2.934 < TPSA(Tot) < 2.985 |
25.59 | 129 | 223 | 410 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nPyridines | number of Pyridines | Functional group counts | Basic descriptors | |
| nCL | number of Chlorine atoms | Constitutional indices | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| X% | percentage of halogen atoms | Constitutional indices | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nArCOOR | number of esters (aromatic) | Functional group counts | Basic descriptors | |
| MW | molecular weight | Constitutional indices | Basic descriptors | |
| nArNHR | number of secondary amines (aromatic) | Functional group counts | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | Basic descriptors | |
| nSH | number of thiols | Functional group counts | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors |