| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | 8.0 < animal | nBM = 10.0 et RBN < 0.0 |
100.0 | 3 | 3 | 3 | |
| 2 | vegetable < 1.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 3 | dusty < 3.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 4 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
1.127 < Mi < 1.13 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 5 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
37.5 < C% < 38.6 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 6 | coniferous = 1.0 et 7.0 < woody |
1.133 < Mi et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 7 | 1.0 < smoky < 2.0 et 7.0 < woody |
nBM = 2.0 et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 8 | 4.0 < coniferous < 5.0 ou 4.0 < dusty et metallic < 1.0 et floral < 1.0 |
RBN < 0.0 et 3.0 < nCs < 8.0 et 1.0 < nCq |
100.0 | 7 | 7 | 7 | |
| 9 | citrusy < 0.0 et fatty < 2.0 ou 1.0 < lavender < 2.0 ou 2.0 < powdery |
18.0 < nSK ou 35.6 < C% ou nRCO = 1.0 ou -0.172 < MLOGP < 2.573 |
91.85 | 203 | 215 | 209 | |
| 10 | 6.0 < woody | 1.0 < nR07 ou Ui < 0.0 et Mi < 1.134 |
90.9 | 10 | 11 | 10 | |
| 11 | 6.0 < woody | 40.814 < Se < 43.698 et Ui < 0.0 ou 1.0 < nR07 |
90.9 | 10 | 11 | 10 | |
| 12 | 5.0 < erogenic < 7.0 ou 6.0 < woody et sourish < 0.0 |
44.0 < nBT et 1.0 < nCrs < 9.0 ou 0.286 < ARR < 0.316 et 22.514 < Sv < 25.805 |
86.66 | 13 | 14 | 14 | |
| 13 | medicinal < 0.0 ou dusty = 3.0 et coniferous < 2.0 ou powdery = 3.0 |
3.0 < RBN ou 13.0 < nC ou 1.0 < nRCHO ou 29.46 < TPSA(Tot) < 37.3 |
86.54 | 193 | 211 | 205 | |
| 14 | 3.0 < tart et 1.0 < medicinal < 3.0 et 1.0 < smoky |
1.0 < nPyridines ou TPSA(Tot) < 0.0 et 41.7 < C% < 50.0 |
85.71 | 6 | 7 | 6 | |
| 15 | medicinal < 0.0 ou 2.0 < fruity et sweet < 5.0 ou fresh = 3.0 |
12.0 < nSK < 21.0 ou nR06 < 0.0 et nArOH < 0.0 ou 212.821 < SAtot < 234.092 |
85.52 | 189 | 210 | 200 | |
| 16 | 2.0 < animal < 3.0 ou 7.0 < erogenic et tart < 1.0 |
17.0 < nSK et nCt < 2.0 et 384.96 < SAtot < 438.243 |
84.61 | 11 | 12 | 12 | |
| 17 | 2.0 < watery < 5.0 et 4.0 < aldehyde |
Se < 37.258 et 10.0 < RBN < 11.0 ou 64.3 < H% < 65.2 et nCp < 2.0 |
84.61 | 11 | 11 | 13 | |
| 18 | 8.0 < woody | 15.0 < nC < 16.0 ou 1.0 < nR07 et nCt = 3.0 |
83.33 | 5 | 6 | 5 | |
| 19 | 1.0 < metallic < 2.0 et animal < 0.0 ou 1.0 < sourish ou 3.0 < fruity |
13.876 < Sv < 22.278 ou C% < 32.1 ou 1.0 < nR=Cp ou 2.294 < MLOGP < 2.42 |
80.8 | 181 | 206 | 199 | |
| 20 | 6.0 < floral et 1.0 < lavender |
1.0 < nOHt et 2.545 < MLOGP < 2.894 |
80.0 | 4 | 4 | 5 | |
| 21 | 7.0 < woody | RBN < 0.0 et 1.0 < nR07 ou 3.941 < MLOGP < 4.145 |
80.0 | 8 | 8 | 10 | |
| 22 | citrusy = 1.0 ou 3.0 < floral ou 3.0 < fatty < 4.0 ou 2.0 < fruity |
117.16 < MW < 143.2 ou Mi < 1.1 ou 3.0 < RBN < 12.0 ou nRCOOR = 1.0 |
79.91 | 179 | 196 | 207 | |
| 23 | 4.0 < watery < 7.0 ou 5.0 < fatty < 6.0 et green < 2.0 et 2.0 < floral < 4.0 |
8.0 < RBN < 10.0 et O% < 3.0 |
77.77 | 7 | 8 | 8 | |
| 24 | 4.0 < spicy et 1.0 < smoky |
1.0 < nN ou 2.0 < nCbH < 3.0 et 14.402 < Sv < 17.832 et 1.121 < Mi < 1.125 |
77.77 | 7 | 9 | 7 | |
| 25 | 2.0 < fresh < 5.0 ou 1.0 < green < 2.0 ou buttery = 1.0 ou powdery = 5.0 |
17.644 < Sv < 22.036 ou nO = 3.0 ou 52.2 < H% < 56.0 ou 2.289 < MLOGP < 3.866 |
77.67 | 174 | 199 | 199 | |
| 26 | 3.0 < floral < 6.0 et fruity < 1.0 et 5.0 < powdery |
12.0 < nAB et 3.587 < MLOGP < 3.719 ou 0.286 < ARR < 0.316 et nCconj < 1.0 |
75.0 | 9 | 10 | 11 | |
| 27 | 3.0 < floral < 6.0 et fruity < 1.0 et 5.0 < powdery |
12.0 < nAB et 3.587 < MLOGP < 3.719 ou 0.286 < ARR < 0.316 et nR=Cs < 1.0 |
75.0 | 9 | 10 | 11 | |
| 28 | 3.0 < lavender ou 3.0 < fruity ou buttery = 2.0 et citrusy < 4.0 |
1.0 < nRCOOR ou -0.846 < Hy < -0.835 et 13.0 < nBT < 45.0 et 45.5 < H% < 63.4 |
75.0 | 72 | 87 | 81 | |
| 29 | 2.0 < fatty ou 1.0 < aldehyde < 2.0 ou 3.0 < lavender et medicinal < 0.0 |
nCIC < 0.0 ou 1.0 < nRCHO ou 1.0 < nOHp et 16.0 < nH |
72.6 | 53 | 62 | 64 | |
| 30 | 3.0 < citrusy ou 4.0 < watery ou 3.0 < aldehyde < 6.0 et woody < 1.0 |
19.305 < Sv < 19.751 ou 64.5 < H% ou 1.0 < nRCHO et 3.0 < RBN |
71.79 | 28 | 33 | 34 | |
| 31 | aldehyde < 0.0 et medicinal < 0.0 et 1.0 < erogenic |
22.036 < Sv < 25.563 ou 1.0 < nRCO et 32.6 < C% < 40.5 et 363.761 < SAtot < 438.243 |
70.37 | 19 | 23 | 23 | |
| 32 | 4.0 < animal ou 3.0 < erogenic < 7.0 et medicinal < 2.0 |
23.831 < Sv < 25.563 ou nR05 = 1.0 et O% < 4.2 ou 4.2 < N% < 8.3 |
70.0 | 14 | 14 | 20 | |
| 33 | 3.0 < lavender ou 3.0 < fruity ou 1.0 < buttery < 2.0 et medicinal < 0.0 |
3.0 < nCconj < 4.0 ou 1.0 < nRCOOR et 19.4 < Se < 45.909 ou 18.59 < Sv < 19.563 |
69.59 | 87 | 101 | 111 | |
| 34 | 2.0 < metallic et 1.0 < medicinal et 1.0 < smoky < 2.0 ou 8.0 < animal |
nO < 0.0 ou 1.0 < nArOH et O% < 10.7 et nCs < 0.0 |
68.42 | 13 | 15 | 17 | |
| 35 | 5.0 < animal | nAB = 10.0 et 3.17 < Uc < 3.585 |
60.0 | 3 | 5 | 3 | |
| 36 | 5.0 < animal | 8.0 < nBM < 11.0 et nAB = 10.0 |
60.0 | 3 | 5 | 3 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nRCOOR | number of esters (aliphatic) | Functional group counts | Basic descriptors | |
| SAtot | total surface area from P_VSA-like descriptors | Molecular properties | Basic descriptors | |
| H% | percentage of H atoms | Constitutional indices | Basic descriptors | |
| RBN | number of rotatable bonds | Constitutional indices | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| nCt | number of total tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nCs | number of total secondary C(sp3) | Functional group counts | Basic descriptors | |
| TPSA(Tot) | topological polar surface area using N,O,S,P polar contributions | Molecular properties | Basic descriptors | |
| nCconj | number of non-aromatic conjugated C(sp2) | Functional group counts | Basic descriptors | |
| nCq | number of total quaternary C(sp3) | Functional group counts | Basic descriptors | |
| Uc | unsaturation count | Molecular properties | Basic descriptors | |
| nCp | number of terminal primary C(sp3) | Functional group counts | Basic descriptors | |
| Hy | hydrophilic factor | Molecular properties | Basic descriptors | |
| nO | number of Oxygen atoms | Constitutional indices | Basic descriptors | |
| nN | number of Nitrogen atoms | Constitutional indices | Basic descriptors | |
| nOHt | number of tertiary alcohols | Functional group counts | Basic descriptors | |
| nOHp | number of primary alcohols | Functional group counts | Basic descriptors | |
| nH | number of Hydrogen atoms | Constitutional indices | Basic descriptors | |
| nAB | number of aromatic bonds | Constitutional indices | Basic descriptors | |
| nSK | number of non-H atoms | Constitutional indices | Basic descriptors | |
| nC | number of Carbon atoms | Constitutional indices | Basic descriptors | |
| nR=Cs | number of aliphatic secondary C(sp2) | Functional group counts | Basic descriptors | |
| nR07 | number of 7-membered rings | Ring descriptors | Basic descriptors | |
| nR06 | number of 6-membered rings | Ring descriptors | Basic descriptors | |
| nR05 | number of 5-membered rings | Ring descriptors | Basic descriptors | |
| nR=Cp | number of terminal primary C(sp2) | Functional group counts | Basic descriptors | |
| nRCHO | number of aldehydes (aliphatic) | Functional group counts | Basic descriptors | |
| nCbH | number of unsubstituted benzene C(sp2) | Functional group counts | Basic descriptors | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| nPyridines | number of Pyridines | Functional group counts | Basic descriptors | |
| C% | percentage of C atoms | Constitutional indices | Basic descriptors | |
| Mi | mean first ionization potential (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| O% | percentage of O atoms | Constitutional indices | Basic descriptors | |
| nArOH | number of aromatic hydroxyls | Functional group counts | Basic descriptors | |
| nBT | number of bonds | Constitutional indices | Basic descriptors | |
| ARR | aromatic ratio | Ring descriptors | Basic descriptors | |
| Se | sum of atomic Sanderson electronegativities (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| nCIC | number of rings (cyclomatic number) | Ring descriptors | Basic descriptors | |
| nBM | number of multiple bonds | Constitutional indices | Basic descriptors | |
| MW | molecular weight | Constitutional indices | Basic descriptors | |
| MLOGP | Moriguchi octanol-water partition coeff. (logP) | Molecular properties | Basic descriptors | |
| nRCO | number of ketones (aliphatic) | Functional group counts | Basic descriptors | |
| nCrs | number of ring secondary C(sp3) | Functional group counts | Basic descriptors |