| # | 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 | Camphor ou Fruity ou Green ou Spicy |
19.0 < nAB < 42.0 et nO < 42.0 et 9.0 < nArCOOR < 25.0 et nOHs < 26.0 |
56.42 | 795 | 958 | 1246 | |
| 3 | Fruity ou Oily ou Spicy ou Woody |
1.0 < nHet < 8.0 et 1.0 < nCsp2 < 4.0 et 10.0 < nCs < 37.0 et 0.245 < Ui < 3.465 |
56.02 | 758 | 980 | 1131 | |
| 4 | 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 | |
| 5 | 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 | |
| 6 | 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 | |
| 7 | 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 | |
| 8 | 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 | |
| 9 | Fruity | 1.0 < nHet < 3.0 ou 5.0 < nOxolanes et 3.0 < N% < 13.0 et 1.0 < nCsp2 < 4.0 |
46.76 | 492 | 570 | 974 | |
| 10 | Caramelic ou Ethereal ou Floral ou Herbaceous |
5.685 < Sv < 11.441 | 45.97 | 599 | 902 | 1000 | |
| 11 | Earthy ou Ethereal ou Floral ou Winey |
100.23 < MW et 15.0 < nO < 54.0 et 0.043 < X% < 0.295 et 1.141 < Ui < 3.889 |
45.23 | 631 | 749 | 1277 | |
| 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 | Earthy ou Floral ou Medicinal ou Winey |
17.0 < nAT < 62.0 et 1.0 < nHet < 15.0 et 12.0 < nArCOOR < 34.0 et 14.0 < nOHs |
43.71 | 577 | 675 | 1222 | |
| 15 | Floral ou Medicinal ou Minty ou Winey |
15.0 < nO < 48.0 et 9.0 < nCL < 27.0 et 12.0 < nOHs < 31.0 et 0.73 < Ui < 3.669 |
43.24 | 602 | 672 | 1322 | |
| 16 | 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 | |
| 17 | Camphor ou Floral ou Root ou Winey |
16.0 < nO < 48.0 et 18.0 < nCs et 3.0 < nCar < 7.0 et 0.245 < Ui < 3.669 |
41.82 | 591 | 649 | 1355 | |
| 18 | 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 | |
| 19 | Balsamic ou Caramelic ou Ethereal ou Green |
0.083 < X% < 0.275 | 40.87 | 533 | 660 | 1177 | |
| 20 | 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 | |
| 21 | 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 | |
| 22 | Ethereal ou Green ou Pineapple ou Spicy |
H% < 23.0 et 0.037 < X% < 0.308 et 14.0 < nCs < 40.0 et 0.94 < Ui < 3.301 |
40.16 | 529 | 638 | 1208 | |
| 23 | Floral ou Medicinal ou Piney ou Winey |
16.0 < nO < 54.0 et 13.0 < H% < 36.0 et 0.04 < X% < 0.302 et 1.0 < nCsp2 |
39.66 | 430 | 637 | 877 | |
| 24 | 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 | |
| 25 | 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 | |
| 26 | Caramelic ou Floral ou Nut |
5.283 < Sv et 3.0 < nHet < 15.0 et X% < 0.261 et 5.0 < nArOH |
38.06 | 373 | 565 | 788 | |
| 27 | Camphor ou Caramelic ou Floral ou Nut |
5.295 < Sv et X% < 0.229 et 5.0 < nR=Cp < 69.0 et 4.0 < nArNHR |
37.96 | 399 | 625 | 825 | |
| 28 | Ethereal ou Minty ou Musk ou Oily |
nHet < 2.0 et nArNHR = 3.0 |
37.83 | 328 | 483 | 712 | |
| 29 | 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 | |
| 30 | Floral | 13.0 < H% < 18.0 et nR=Ct = 3.0 ou 18.0 < nArCOOR < 34.0 et 3.0 < nHet < 15.0 |
35.56 | 319 | 476 | 740 | |
| 31 | Ethereal ou Sour |
32.05 < MW < 134.2 et nCL < 8.0 et nHet < 2.0 et Ui < 2.073 |
32.97 | 93 | 169 | 206 | |
| 32 | Ethereal ou Smoky ou Sour |
MW < 134.2 et nAT < 27.0 et H% < 9.5 et nHAcc < 3.0 |
32.16 | 92 | 178 | 200 | |
| 33 | Fruity ou Oily ou Woody |
Sv < 7.209 et 39.0 < nAT |
32.07 | 339 | 908 | 488 | |
| 34 | Berry ou Herbaceous ou Musk ou Vanilin |
137.15 < MW < 256.48 et 1.0 < nHet < 11.0 et 12.5 < H% < 22.0 et 5.0 < nArOH |
31.0 | 306 | 468 | 825 | |
| 35 | Oily | Sv < 6.009 et 0.231 < X% < 0.31 et 28.0 < nR=Cp ou 140.25 < MW < 143.2 |
31.0 | 124 | 232 | 292 | |
| 36 | Ethereal | 130.16 < MW < 130.21 ou 6.554 < Sv < 6.557 ou H% < 8.0 ou 2.449 < Ui < 2.466 |
30.76 | 80 | 144 | 196 | |
| 37 | Geranium ou Oily ou Woody |
Sv < 6.28 et 40.0 < nAT et 35.0 < nO |
29.54 | 195 | 461 | 394 | |
| 38 | Apple ou Oily ou Woody |
4.74 < Sv < 5.399 et 26.0 < nAB |
28.67 | 193 | 492 | 374 | |
| 39 | Caramelic ou Metallic ou Woody |
10.0 < H% < 25.0 et X% < 0.083 et 11.0 < nR=Cp < 46.0 et 5.0 < nArOH |
25.4 | 125 | 298 | 319 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nPyridines | number of Pyridines | Functional group counts | Basic descriptors | |
| nCar | number of aromatic C(sp2) | Functional group counts | Basic descriptors | |
| nCL | number of Chlorine atoms | Constitutional indices | Basic descriptors | |
| nOxolanes | number of Oxolanes | Functional group counts | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | Basic descriptors | |
| nHAcc | number of acceptor atoms for H-bonds (N,O,F) | Functional group counts | Basic descriptors | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| nR=Ct | number of aliphatic tertiary C(sp2) | 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 | |
| nSH | number of thiols | Functional group counts | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | 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 | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors |