Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:09:48
  • 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		 48.97 429 570 735
2 Floral 3.0 < nHet < 15.0
et 13.0 < H% < 36.0
et 0.04 < X% < 0.212
et 0.878 < Ui < 3.889		 36.31 292 476 620
3 Camphor
et Fruity		 5.042 < Sv < 6.01
et X% < 0.037
et 10.0 < nOHs < 15.0
et TPSA(Tot) < 0.485		 34.61 27 63 42
4 Musk X% < 0.103
et 3.593 < Ui < 3.737		 32.72 18 52 21
5 Oily 6.056 < Sv < 8.424
et 0.231 < X% < 0.31
et 17.0 < nR=Cp < 27.0
et 1.541 < Ui		 30.0 114 232 262
6 Ethereal
et Floral		 32.05 < MW < 134.2
et nCL < 8.0
et nHet < 2.0
et Ui < 2.073		 29.05 77 136 206
7 Waxy 4.76 < Sv < 5.081
et 0.231 < X%		 27.27 27 63 63
8 Green 5.0 < H% < 23.0
et 0.063 < X% < 0.283
et 0.94 < Ui < 3.301
et TPSA(Tot) < 3.011		 26.71 300 357 1066
9 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
10 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
11 Balsamic 1.0 < nHet < 7.0
et 16.5 < H% < 30.0
et 21.0 < nR=Cp < 54.0		 24.77 56 152 130
12 Fatty 4.765 < Sv < 5.61
et 0.208 < X% < 0.283
et nArOH = 4.0		 24.24 48 113 133
13 Woody X% < 0.083
et 3.0 < nArOH < 4.0		 24.08 119 223 390
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 Fruity
et Woody		 11.0 < H% < 24.0
et X% < 0.083
et 4.0 < nArNHR
et 4.0 < nHAcc		 22.75 86 189 275
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 Citrus Sv < 5.26
et H% < 16.0
et 21.0 < nCs < 24.0
et 1.849 < Ui < 2.783		 21.62 24 78 57
20 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
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

Qualités

Ethereal Apple Pineapple Flora Gassy Caramelic Balsamic Fruity Rose Floral Green Fatty Citrus Minty Waxy Winey Camphor Oily Woody Musk Spicy Fruit Herbaceous

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
nCL number of Chlorine atoms Constitutional indices Basic descriptors
nHet number of heteroatoms Constitutional indices Basic descriptors
nRCOOH number of carboxylic acids (aliphatic) Functional group counts Basic descriptors
nOHs number of secondary alcohols Functional group counts Basic descriptors
nHAcc number of acceptor atoms for H-bonds (N,O,F) 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
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
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