Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:08:48
  • 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 Musk X% < 0.103
et 3.593 < Ui < 3.737		 32.72 18 52 21
4 Oily Sv < 6.095
et 9.0 < N%
et 0.19 < X% < 0.31
et 2.75 < Ui		 28.73 100 232 216
5 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
6 Ethereal 32.05 < MW < 134.2
et nAT < 29.0
et H% < 8.0
et nArNHR < 3.0		 27.46 64 144 153
7 Waxy 4.76 < Sv < 5.081
et 0.231 < X%		 27.27 27 63 63
8 Green 5.0 < H% < 23.0
et 2.0 < N% < 12.0
et 0.846 < Ui < 3.297
et TPSA(Tot) < 3.011		 26.18 305 357 1113
9 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
10 Fatty 4.765 < Sv < 5.832
et 0.241 < X% < 0.31
et 21.0 < nR=Cp < 173.0		 23.95 63 113 213
11 Balsamic 8.0 < nHet
et 21.0 < nR=Cp < 54.0
et 1.673 < TPSA(Tot)		 23.83 51 152 113
12 Minty 150.24 < MW < 154.28
et 22.0 < nO < 29.0
et X% < 0.074
et Ui < 2.119		 23.25 20 71 35
13 Woody X% < 0.083 22.94 120 223 420
14 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
15 Rose 30.0 < nAT < 55.0
et 15.0 < H% < 29.0
et 0.143 < X% < 0.257
et 2.201 < TPSA(Tot) < 3.24		 22.41 78 176 250
16 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
17 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
18 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
19 Camphor 152.26 < MW < 154.28
et 27.0 < nO
et X% < 0.143
et 0.441 < Ui < 2.542		 18.88 17 66 41
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 Phenolic 5.752 < Sv < 8.243
et 6.0 < nHet < 7.0
et N% < 2.0
et TPSA(Tot) < 1.125		 12.41 18 24 139
27 Buterry 4.0 < nCL < 9.0
et 1.0 < nHet < 2.0
et 0.077 < X% < 0.222
et TPSA(Tot) < 1.428		 11.4 17 28 138
28 Tobacco 98.11 < MW < 148.17
et 5.88 < Sv < 8.597
et N% < 2.0
et nR=Cp < 14.0		 11.18 17 33 136
29 Banana 5.081 < Sv < 5.809
et nHet = 1.0
et 0.16 < X% < 0.279
et 1.673 < Ui < 3.113		 10.36 17 30 151
30 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
31 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
32 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
33 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
34 Animal X% < 0.027 9.42 18 51 158
35 Leafy 0.185 < X% < 0.209
et 19.0 < nR=Cp < 77.0		 9.04 17 64 141
36 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
37 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
38 Sour 4.0 < nCL < 10.0
et 1.0 < nHet < 2.0
et H% < 11.0
et 1.0 < N% < 7.0		 6.93 17 25 237
39 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
40 Apricot 5.0 < N% < 13.0
et 1.0 < nCsp2 < 3.0
et nR03 = 2.0
et nArNHR < 3.0		 6.39 17 28 255
41 Orange-blossom 7.0 < nHet
et 1.0 < N% < 11.0
et 4.0 < nCar < 8.0
et 19.0 < nOHs		 5.21 17 25 318
42 Almond nAT < 39.0
et 6.0 < nHet < 13.0
et 1.0 < N% < 4.0
et nR=Cp < 31.0		 4.37 17 24 382
43 Jasmin 10.0 < nCL < 20.0
et 4.0 < nHet < 8.0
et 1.0 < N% < 10.0
et 15.0 < nOHs < 28.0		 3.53 17 29 469
44 Lilly 27.0 < nAB
et 26.0 < nO < 53.0
et 4.0 < N% < 8.0
et 13.0 < nOHs		 3.31 17 25 505
45 Hay 17.0 < nAT < 41.0
et 5.0 < nHet < 13.0
et 11.0 < nR=Cp < 37.0
et 14.0 < nOHs		 3.29 17 22 511
46 Plum 18.0 < nO < 36.0
et nCL < 16.0
et 3.0 < N% < 7.0
et 1.0 < nCsp2 < 2.0		 3.23 17 19 523
47 Piney nHet < 1.0
et nR03 < 2.0		 3.19 18 29 553
48 Peachy 9.0 < nC < 20.0
et 3.0 < N% < 13.0
et 1.0 < nCsp2 < 3.0
et nR03 = 2.0		 3.13 17 19 541
49 Pear 25.0 < nO < 52.0
et 10.0 < H% < 24.0
et 5.0 < N% < 11.0
et 4.0 < nHAcc		 3.1 17 23 541

Qualités

Hay Apricot Banana Balsamic Leafy Honey Plum Apple Waxy Fruity Woody Orange-blossom Medicinal Peachy Jasmin Fatty Rose Citrus Tarry Minty Pear Anisic Vanilin Almond Piney Pineapple Orange Gassy Lilly Musk Ethereal Winey Ambre Tobacco Animal Floral Buterry Earthy Spicy Green Phenolic Hyacinth Nut Oily Caramelic Herbaceous Berry Sour Camphor

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
nC number of Carbon atoms Constitutional indices Basic descriptors
nCar number of aromatic C(sp2) Functional group counts Basic descriptors
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
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
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
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