| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | 8.0 < animal | nBM = 10.0 et O% < 2.4 |
100.0 | 3 | 3 | 3 | |
| 2 | 8.0 < animal | nBM = 10.0 et RBN < 0.0 |
100.0 | 3 | 3 | 3 | |
| 3 | vegetable < 1.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 4 | dusty < 3.0 et 7.0 < woody |
1.133 < Mi < 1.134 et nH = 28.0 |
100.0 | 3 | 3 | 3 | |
| 5 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
1.127 < Mi < 1.13 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 6 | 2.0 < coniferous < 3.0 et 3.0 < powdery |
37.5 < C% < 38.6 et 3.0 < nCIC |
100.0 | 3 | 3 | 3 | |
| 7 | coniferous = 1.0 et 7.0 < woody |
1.133 < Mi et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 8 | 4.0 < animal et 2.0 < erogenic < 3.0 |
nBM = 10.0 et 8.0 < nCsp2 < 11.0 |
100.0 | 3 | 3 | 3 | |
| 9 | 4.0 < animal et 2.0 < erogenic < 3.0 |
nAB = 10.0 et 8.0 < nCsp2 < 11.0 |
100.0 | 3 | 3 | 3 | |
| 10 | 1.0 < smoky < 2.0 et 7.0 < woody |
nBM = 2.0 et 1.0 < nR07 |
100.0 | 3 | 3 | 3 | |
| 11 | coniferous = 3.0 | 1.0 < nCrt et 3.267 < MLOGP < 3.721 et 245.206 < SAtot < 358.224 |
100.0 | 3 | 3 | 3 | |
| 12 | honey = 1.0 et buttery = 2.0 |
3.0 < nO et 51.6 < H% < 57.9 et nRCOOR = 1.0 |
100.0 | 3 | 3 | 3 | |
| 13 | fresh < 2.0 et 8.0 < fruity |
184.31 < MW et 16.305 < Sv < 17.832 et 2.0 < nCrs < 4.0 |
100.0 | 3 | 3 | 3 | |
| 14 | fresh < 2.0 et 8.0 < fruity |
16.305 < Sv < 17.832 et 13.0 < nSK et 2.0 < nCrs < 4.0 |
100.0 | 3 | 3 | 3 | |
| 15 | honey = 1.0 et buttery = 2.0 |
51.6 < H% < 57.9 et nRCOOR = 1.0 et 3.0 < nHAcc |
100.0 | 3 | 3 | 3 | |
| 16 | buttery = 1.0 et 1.0 < anisic < 4.0 |
1.125 < Mi < 1.13 et 3.0 < nHAcc et MLOGP < 2.11 |
100.0 | 3 | 3 | 3 | |
| 17 | green < 1.0 et 1.0 < citrusy et 6.0 < floral |
154.28 < MW et 2.0 < RBN < 5.0 et 1.0 < nOHp |
100.0 | 3 | 3 | 3 | |
| 18 | citrusy < 0.0 et 1.0 < buttery et 1.0 < earthy < 4.0 et 3.0 < woody < 6.0 |
192.33 < MW < 220.39 et nRCO = 1.0 |
100.0 | 8 | 8 | 8 | |
| 19 | 3.0 < fresh et 2.0 < green < 7.0 et watery = 3.0 et 1.0 < aldehyde < 3.0 |
1.0 < nCs < 2.0 et 2.0 < nROR |
100.0 | 3 | 3 | 3 | |
| 20 | 1.0 < watery et 1.0 < vegetable < 2.0 et 1.0 < buttery < 2.0 et 2.0 < dusty < 4.0 |
160.18 < MW < 206.36 et Mi < 1.129 et nCbH < 3.0 et 3.0 < nCconj < 4.0 |
85.71 | 6 | 7 | 6 | |
| 21 | 6.0 < floral et 1.0 < lavender |
1.0 < nOHt et 2.545 < MLOGP < 2.894 |
80.0 | 4 | 4 | 5 | |
| 22 | tart = 1.0 et 7.0 < woody |
262.43 < MW < 264.45 et 19.0 < nSK < 20.0 |
75.0 | 3 | 4 | 3 | |
| 23 | tart = 1.0 et 7.0 < woody |
1.129 < Mi < 1.133 et 19.0 < nSK < 20.0 |
75.0 | 3 | 4 | 3 | |
| 24 | 5.0 < erogenic < 7.0 et woody = 1.0 |
25.332 < Sv < 25.563 et 44.0 < nBT |
75.0 | 3 | 3 | 4 | |
| 25 | 1.0 < green et 7.0 < woody |
RBN < 0.0 et 1.0 < nR07 |
75.0 | 3 | 3 | 4 | |
| 26 | 3.0 < erogenic et woody < 0.0 |
256.43 < MW et 3.0 < nO |
75.0 | 3 | 3 | 4 | |
| 27 | 3.0 < erogenic et woody < 0.0 |
22.514 < Sv et 3.0 < nO |
75.0 | 3 | 3 | 4 | |
| 28 | watery < 0.0 et 1.0 < erogenic et 6.0 < powdery |
2.0 < nArNO2 | 75.0 | 3 | 4 | 3 | |
| 29 | 4.0 < floral < 6.0 et 5.0 < anisic |
19.745 < Se < 20.073 et 0.6 < ARR et nCbH < 4.0 |
75.0 | 3 | 4 | 3 | |
| 30 | 5.0 < anisic et 2.0 < dusty |
19.745 < Se < 20.073 et 0.6 < ARR et nCbH < 4.0 |
75.0 | 3 | 4 | 3 | |
| 31 | 2.0 < green < 7.0 et 2.0 < vegetable < 4.0 et 1.0 < medicinal < 3.0 et 3.0 < dusty |
3.4 < N% < 5.0 et 1.0 < nPyridines |
75.0 | 3 | 3 | 4 | |
| 32 | 2.0 < green < 7.0 et 2.0 < vegetable < 4.0 et 1.0 < medicinal < 3.0 et 3.0 < dusty |
3.4 < N% < 5.0 et nHDon < 0.0 |
75.0 | 3 | 3 | 4 | |
| 33 | 2.0 < green < 7.0 et 2.0 < vegetable < 4.0 et 3.0 < dusty et woody < 1.0 |
3.4 < N% < 5.0 et 1.0 < nPyridines |
75.0 | 3 | 3 | 4 | |
| 34 | sourish < 1.0 et 1.0 < watery < 2.0 et 1.0 < coniferous et 2.0 < minty |
154.28 < MW < 156.3 et 1.0 < nOHs |
75.0 | 3 | 4 | 3 | |
| 35 | 4.0 < floral < 6.0 et lavender = 1.0 |
1.125 < Mi < 1.126 et 2.0 < RBN < 4.0 et 1.0 < nCt et -0.846 < Hy < -0.294 |
75.0 | 3 | 4 | 3 | |
| 36 | 2.0 < green < 3.0 et 2.0 < metallic et 1.0 < aldehyde < 2.0 |
1.143 < Mi < 1.145 et 1.0 < nOHp |
66.66 | 4 | 5 | 5 | |
| 37 | fatty < 3.0 et 1.0 < aldehyde et medicinal < 0.0 et fruity < 1.0 |
nCconj < 0.0 et 1.0 < nRCHO |
66.66 | 14 | 18 | 17 | |
| 38 | tart < 2.0 et 4.0 < watery < 5.0 et aldehyde < 4.0 |
nCp < 3.0 et 1.0 < nHDon et -0.325 < Hy < -0.294 et 311.751 < SAtot < 335.396 |
66.66 | 4 | 5 | 5 | |
| 39 | medicinal < 0.0 et sweet < 2.0 et spicy < 1.0 et powdery < 2.0 |
nR06 < 0.0 et nCrs < 2.0 |
66.33 | 67 | 93 | 75 | |
| 40 | 3.0 < sourish < 4.0 et citrusy = 1.0 et 2.0 < fruity |
1.134 < Mi et 3.0 < nCsp2 < 5.0 et nRCOOR = 1.0 et 322.967 < SAtot < 409.187 |
64.7 | 11 | 14 | 14 | |
| 41 | 1.0 < erogenic et aromatic < 2.0 et 1.0 < powdery < 5.0 et 1.0 < earthy < 3.0 |
2.0 < nBM < 7.0 et C% < 38.6 et 1.0 < nCIC et 1.0 < nRCO |
64.28 | 9 | 11 | 12 | |
| 42 | green < 1.0 et sourish < 1.0 et 2.0 < metallic et 1.0 < smoky < 2.0 |
50.0 < H% et nCs < 0.0 et 1.0 < nArOH |
62.5 | 5 | 5 | 8 | |
| 43 | 5.0 < animal | nAB = 10.0 et 3.17 < Uc < 3.585 |
60.0 | 3 | 5 | 3 | |
| 44 | 5.0 < animal | 8.0 < nBM < 11.0 et nAB = 10.0 |
60.0 | 3 | 5 | 3 | |
| 45 | 6.0 < woody et 1.0 < balsamic |
1.0 < nR07 | 60.0 | 6 | 8 | 8 | |
| 46 | 7.0 < erogenic | 256.43 < MW < 258.44 et 17.0 < nSK |
60.0 | 3 | 4 | 4 | |
| 47 | 6.0 < erogenic < 7.0 | 1.124 < Mi < 1.125 et 38.0 < nAT < 47.0 |
60.0 | 3 | 4 | 4 | |
| 48 | 4.0 < aldehyde et 1.0 < buttery |
Se < 37.258 et 10.0 < RBN < 11.0 |
60.0 | 3 | 4 | 4 | |
| 49 | 3.0 < animal < 5.0 et 1.0 < erogenic |
ARR < 0.3 et 1.0 < nArCO |
60.0 | 3 | 5 | 3 | |
| 50 | 4.0 < green < 5.0 et 3.0 < aldehyde < 6.0 |
134.19 < MW < 142.27 et 1.0 < nRCHO |
60.0 | 3 | 3 | 5 | |
| 51 | 4.0 < green < 5.0 et 3.0 < aldehyde < 6.0 |
1.0 < nRCHO et 2.152 < MLOGP < 2.446 |
60.0 | 3 | 3 | 5 | |
| 52 | 1.0 < erogenic et 8.0 < woody |
2.0 < nBM et 1.0 < nR07 |
60.0 | 3 | 4 | 4 | |
| 53 | 4.0 < green < 5.0 et floral < 2.0 et 2.0 < sweet |
1.0 < nROH et 1.925 < MLOGP < 2.129 |
60.0 | 3 | 3 | 5 | |
| 54 | animal < 0.0 et 5.0 < powdery et 2.0 < dusty < 3.0 |
nBM = 13.0 et 12.0 < nAB et 3.587 < MLOGP < 3.719 |
60.0 | 3 | 4 | 4 | |
| 55 | buttery = 1.0 et 2.0 < aromatic < 3.0 et 1.0 < anisic |
168.21 < MW < 194.25 et nO = 3.0 et nCconj < 0.0 |
60.0 | 3 | 3 | 5 | |
| 56 | buttery = 1.0 et 2.0 < aromatic < 3.0 et 1.0 < anisic |
168.21 < MW < 194.25 et 1.0 < nRCOOR et nHAcc = 3.0 |
60.0 | 3 | 3 | 5 | |
| 57 | buttery = 1.0 et 2.0 < aromatic < 3.0 et 1.0 < anisic |
168.21 < MW < 194.25 et nHet = 3.0 et 1.0 < nRCOOR |
60.0 | 3 | 3 | 5 | |
| 58 | green < 1.0 et 2.0 < metallic et fruity < 0.0 et buttery < 0.0 |
1.0 < nArOH et 1.859 < MLOGP < 3.386 |
60.0 | 9 | 11 | 13 | |
| 59 | tart < 0.0 et sweet < 4.0 et 3.0 < powdery < 5.0 et 1.0 < balsamic < 2.0 |
nAB = 12.0 et 1.0 < nCconj |
57.14 | 4 | 4 | 7 | |
| 60 | 1.0 < metallic < 2.0 et 4.0 < vegetable < 6.0 et animal < 0.0 et woody < 1.0 |
10.0 < nH < 18.0 et nCb- < 2.0 et 1.0 < nR=Cp |
57.14 | 8 | 13 | 9 | |
| 61 | 8.0 < woody | 15.0 < nC < 16.0 et nCt = 3.0 |
50.0 | 3 | 6 | 3 | |
| 62 | buttery = 2.0 et aromatic < 0.0 |
37.258 < Se < 41.141 et 1.0 < nRCOOR |
50.0 | 6 | 8 | 10 | |
| 63 | 1.0 < anisic < 4.0 et dusty = 1.0 |
10.7 < O% < 12.0 et 1.0 < nArOR |
50.0 | 3 | 5 | 4 | |
| 64 | vegetable < 1.0 et 6.0 < medicinal |
nCsp3 < 1.0 et 1.859 < MLOGP < 2.034 |
50.0 | 3 | 4 | 5 | |
| 65 | 1.0 < coniferous < 3.0 et fruity < 0.0 et 2.0 < balsamic < 3.0 |
4.0 < nCt | 50.0 | 3 | 4 | 5 | |
| 66 | 1.0 < tart et 3.0 < erogenic < 7.0 |
1.114 < Mi < 1.13 et nR05 = 1.0 et 15.79 < TPSA(Tot) < 20.23 |
50.0 | 3 | 5 | 4 | |
| 67 | fresh < 0.0 et 1.0 < medicinal < 3.0 et 1.0 < animal et 1.0 < smoky |
1.0 < nN et 0.733 < ARR < 0.917 |
50.0 | 3 | 4 | 5 | |
| 68 | sourish < 1.0 et 2.0 < medicinal et buttery < 0.0 et 1.0 < aromatic < 3.0 |
Sv < 18.359 et nArCOOR = 1.0 |
46.66 | 7 | 11 | 11 | |
| 69 | 5.0 < fatty < 6.0 | 1.142 < Mi < 1.145 et 8.0 < RBN < 10.0 |
42.85 | 3 | 4 | 6 | |
| 70 | 4.0 < coniferous < 5.0 | RBN < 0.0 et 241.45 < SAtot < 276.871 |
42.85 | 3 | 5 | 5 | |
| 71 | 6.0 < erogenic | Mi < 1.125 et 4.0 < nCp < 6.0 |
42.85 | 3 | 6 | 4 | |
| 72 | floral < 1.0 et 6.0 < woody |
40.814 < Se < 43.698 et Ui < 0.0 |
42.85 | 3 | 7 | 3 | |
| 73 | 1.0 < erogenic < 5.0 et 6.0 < woody |
222.41 < MW < 246.43 et 2.0 < nCrq |
42.85 | 3 | 6 | 4 | |
| 74 | 1.0 < erogenic < 5.0 et 6.0 < woody |
2.0 < nCq et 3.866 < MLOGP < 4.116 |
42.85 | 3 | 6 | 4 | |
| 75 | 3.0 < tart et 1.0 < animal < 3.0 et 1.0 < smoky |
1.0 < nPyridines | 42.85 | 3 | 6 | 4 | |
| 76 | watery = 2.0 et minty = 1.0 et 1.0 < medicinal |
14.214 < Sv < 14.402 et nCt = 1.0 |
42.85 | 3 | 4 | 6 | |
| 77 | 2.0 < metallic et minty = 2.0 |
13.778 < Sv < 14.064 et 2.0 < nCb- et 2.124 < MLOGP |
37.5 | 3 | 5 | 6 | |
| 78 | 1.0 < floral < 3.0 et minty = 2.0 |
13.778 < Sv < 14.064 et 2.0 < nCb- et 2.124 < MLOGP |
37.5 | 3 | 5 | 6 | |
| 79 | 3.0 < floral < 4.0 et 6.0 < powdery |
7.0 < nBM < 8.0 et nCIC = 2.0 et 2.265 < MLOGP |
37.5 | 3 | 6 | 5 | |
| 80 | 2.0 < green < 8.0 et 2.0 < watery < 3.0 et 4.0 < vegetable et medicinal < 0.0 |
174.32 < MW < 186.33 et 2.0 < nROR |
37.5 | 3 | 8 | 3 | |
| 81 | 8.0 < aldehyde | 5.0 < nCs < 8.0 et 1.0 < nRCHO |
33.33 | 3 | 5 | 7 | |
| 82 | 5.0 < fatty | 1.142 < Mi < 1.145 et 10.0 < nCsp3 < 11.0 |
30.0 | 3 | 6 | 7 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| nCrq | number of ring quaternary C(sp3) | Functional group counts | Basic descriptors | |
| nCsp2 | number of sp2 hybridized Carbon atoms | Constitutional indices | Basic descriptors | |
| nROR | number of ethers (aliphatic) | Functional group counts | Basic descriptors | |
| 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 | |
| nROH | number of hydroxyl groups | Functional group counts | Basic descriptors | |
| RBN | number of rotatable bonds | Constitutional indices | Basic descriptors | |
| Ui | unsaturation index | Molecular properties | Basic descriptors | |
| N% | percentage of N atoms | Constitutional indices | Basic descriptors | |
| nAT | number of atoms | Constitutional indices | 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 | |
| nHDon | number of donor atoms for H-bonds (N and O) | Functional group counts | Basic descriptors | |
| nCq | number of total quaternary C(sp3) | Functional group counts | Basic descriptors | |
| nCconj | number of non-aromatic conjugated C(sp2) | 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 | |
| nOHs | number of secondary alcohols | Functional group counts | Basic descriptors | |
| nArCOOR | number of esters (aromatic) | 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 | |
| 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 | |
| nArNO2 | number of nitro groups (aromatic) | Functional group counts | 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 | |
| nHAcc | number of acceptor atoms for H-bonds (N,O,F) | Functional group counts | Basic descriptors | |
| nHet | number of heteroatoms | Constitutional indices | 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 | |
| nArCO | number of ketones (aromatic) | Functional group counts | Basic descriptors | |
| nPyridines | number of Pyridines | Functional group counts | Basic descriptors | |
| nArOR | number of ethers (aromatic) | 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 | |
| nCb- | number of substituted benzene C(sp2) | Functional group counts | 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 | |
| nCrt | number of ring tertiary C(sp3) | Functional group counts | Basic descriptors | |
| nCrs | number of ring secondary C(sp3) | Functional group counts | Basic descriptors | |
| nCsp3 | number of sp3 hybridized Carbon atoms | Constitutional indices | Basic descriptors |