Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:09:04
  • Qualités :
  • Propriétés physico-chimiques :

Redescriptions

Score de l'analyse : Moyenne des score des redescriptions.

Comment lire les redescriptions

# Qualités Propriétés physico-chimiques Score (en %) Support Support qualités Support propriétés
1 Fruity 1.0 < nHet < 8.0
et 3.0 < N% < 13.0
et 1.0 < nCsp2 < 4.0
et 2.0 < nR03 < 8.0		 49.02 429 570 734
2 Floral 19.0 < nAT < 61.0
et 0.048 < X% < 0.216
et 22.0 < nCs
et 14.0 < nR=Cp < 69.0		 38.14 341 476 759
3 Camphor 5.042 < Sv < 6.01
et X% < 0.037
et 10.0 < nOHs < 15.0
et TPSA(Tot) < 0.485		 33.33 27 66 42
4 Musk X% < 0.103
et 3.593 < Ui < 3.737		 32.72 18 52 21
5 Oily Sv < 6.009
et 0.231 < X% < 0.31
et 28.0 < nR=Cp		 29.62 112 232 258
6 Ethereal 32.05 < MW < 134.2
et nCL < 8.0
et nHet < 2.0
et Ui < 2.073		 28.67 78 144 206
7 Vanilin 6.909 < Sv < 8.008
et 19.0 < nAB < 22.0
et 0.05 < X% < 0.182
et TPSA(Tot) < 1.303		 28.33 17 26 51
8 Waxy 140.25 < MW < 240.48
et 4.76 < Sv < 5.394
et 0.24 < X% < 0.304
et nArOH < 4.0		 27.35 32 63 86
9 Green nO < 41.0
et 0.083 < X% < 0.275
et 7.0 < nOHs < 26.0
et 0.846 < Ui < 3.237		 26.34 279 357 981
10 Minty 136.26 < MW < 168.26
et X% < 0.042
et 16.0 < nRCOOH < 19.0
et 1.671 < Ui < 2.182		 25.28 22 71 38
11 Herbaceous 140.2 < MW < 249.39
et 1.0 < nHet < 10.0
et 13.0 < H% < 22.0
et 5.0 < nArOH		 25.22 228 356 776
12 Balsamic 6.252 < Sv < 7.929
et 16.5 < H% < 30.0
et 0.109 < X% < 0.194
et 2.0 < nR03 < 3.0		 24.49 61 152 158
13 Fatty 4.765 < Sv < 5.61
et 0.208 < X% < 0.283
et nArOH = 4.0		 24.24 48 113 133
14 Woody X% < 0.083 22.94 120 223 420
15 Winey 11.0 < H% < 22.0
et 0.241 < X% < 0.311
et 2.0 < nR03
et 24.0 < nR=Cp < 113.0		 22.78 54 114 177
16 Rose 2.0 < nHet
et 0.143 < X% < 0.257
et 21.0 < nCs < 45.0
et 2.593 < Ui < 3.521		 22.59 87 176 296
17 Spicy 150.14 < MW < 196.32
et 2.0 < nHet < 11.0
et 0.037 < X% < 0.15
et 0.32 < TPSA(Tot) < 2.212		 22.01 59 133 194
18 Fruity
et Pineapple		 5.458 < Sv < 5.548
et 0.16 < X% < 0.286
et 2.0 < nR03
et 1.252 < TPSA(Tot) < 3.102		 21.95 18 47 53
19 Apple 5.544 < Sv < 5.661
et 4.0 < N% < 8.0
et 0.182 < X%
et 20.0 < nR=Cp < 76.0		 20.68 18 56 49
20 Medicinal nHet = 6.0
et 11.0 < H% < 18.0
et X% < 0.095		 17.7 17 41 72
21 Caramelic 6.092 < Sv < 8.408
et 15.0 < nO < 27.0
et nR03 = 3.0
et 15.0 < nRCOOH < 22.0		 16.19 17 55 67
22 Gassy 12.0 < nO < 30.0
et X% < 0.2
et nR03 < 0.0
et nR=Ct = 3.0		 15.04 17 47 83
23 Honey 5.966 < Sv < 7.393
et 8.0 < nHet < 14.0
et 0.136 < X% < 0.231
et 2.28 < Ui < 3.515		 14.78 17 56 76
24 Citrus 4.787 < Sv < 5.042 13.92 22 78 102
25 Tarry 15.0 < nAT < 35.0
et X% < 0.087
et nCsp2 < 0.0
et 10.0 < nRCOOH < 23.0		 13.07 17 22 125
26 Berry 0.083 < X% < 0.25
et 20.0 < nR=Cp < 32.0
et 2.161 < Ui < 2.53
et 1.053 < TPSA(Tot) < 2.152		 10.05 17 44 142
27 Earthy 31.0 < nAT < 60.0
et 17.0 < nCL < 19.0
et 35.0 < nCs
et 10.0 < nSH < 11.0		 9.88 17 83 106
28 Anisic 19.0 < nO < 28.0
et 10.0 < nCL < 13.0
et 14.0 < nR=Cp < 24.0
et 1.859 < Ui < 2.415		 9.88 17 30 159
29 Orange 4.983 < Sv < 6.249
et 35.0 < nAT < 52.0
et 8.0 < N% < 10.0
et 2.567 < Ui < 3.513		 9.82 17 32 158
30 Animal X% < 0.027 9.42 18 51 158
31 Leafy 0.185 < X% < 0.209
et 19.0 < nR=Cp < 77.0		 9.04 17 64 141
32 Hyacinth 6.0 < nHet < 7.0
et 1.0 < N% < 4.0
et 14.0 < nRCOOH < 19.0
et TPSA(Tot) < 1.721		 8.8 17 31 179
33 Ambre 39.0 < nO < 46.0
et 20.0 < nR=Cp < 87.0
et 18.0 < nOHs < 29.0
et 2.831 < Ui < 3.669		 8.54 17 37 179
34 Nut 145.22 < MW < 186.33
et 24.0 < nCs < 26.0
et 15.0 < nOHs
et 1.128 < Ui < 2.8		 6.56 17 47 229

Qualités

Ethereal Medicinal Apple Orange Earthy Pineapple Gassy Nut Caramelic Balsamic Fruity Tarry Animal Honey Vanilin Rose Floral Green Fatty Leafy Anisic Citrus Minty Waxy Winey Camphor Berry Oily Hyacinth Woody Musk Spicy Ambre Herbaceous

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
nCL number of Chlorine atoms Constitutional indices Basic descriptors
nRCOOH number of carboxylic acids (aliphatic) Functional group counts Basic descriptors
nHet number of heteroatoms Constitutional indices 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
MW molecular weight Constitutional indices 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
nArOH number of aromatic hydroxyls Functional group counts Basic descriptors
TPSA(Tot) topological polar surface area using N,O,S,P polar contributions Molecular properties Basic descriptors
nR03 number of 3-membered rings Ring descriptors Basic descriptors

Visualisations