Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 08:11:07
  • 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 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 medicinal < 0.0
ou dusty = 3.0
146.2 < MW < 148.17
ou 3.0 < RBN
ou 13.0 < nC
ou 1.0 < nRCHO
ou 1.0 < nOHp
ou 29.46 < TPSA(Tot) < 37.3
et nArCOOR < 0.0
ou 1.104 < Mi < 1.108
ou 15.0 < nSK
ou nCt = 2.0
91.78 201 208 212
9 6.0 < woody 1.0 < nR07
ou Ui < 0.0
et Mi < 1.134
90.9 10 11 10
10 6.0 < woody 40.814 < Se < 43.698
et Ui < 0.0
ou 1.0 < nR07
90.9 10 11 10
11 medicinal < 0.0
ou sweet = 3.0
12.0 < nSK < 21.0
ou nR06 < 0.0
et nArOH < 0.0
ou RBN = 3.0
ou H% < 42.9
ou 1.0 < nRCHO
ou 212.821 < SAtot < 234.092
et ARR < 0.706
ou 10.0 < nCsp2 < 13.0
ou 1.591 < MLOGP < 1.769
90.54 201 206 217
12 citrusy < 0.0
et fatty < 2.0
18.0 < nSK
ou RBN < 2.0
ou 35.6 < C%
ou nRCO = 1.0
ou 1.727 < MLOGP < 2.289
ou 307.86 < SAtot < 312.242
et -0.946 < Hy
ou 2.0 < nCIC < 3.0
90.43 189 196 202
13 5.0 < erogenic < 7.0 25.332 < Sv < 25.563
et 44.0 < nBT
ou 0.286 < ARR < 0.316
et 1.0 < RBN < 5.0
85.71 6 6 7
14 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
15 8.0 < woody 15.0 < nC < 16.0
ou 1.0 < nR07
et nCt = 3.0
83.33 5 6 5
16 6.0 < floral
et 1.0 < lavender
1.0 < nOHt
et 2.545 < MLOGP < 2.894
80.0 4 4 5
17 7.0 < woody RBN < 0.0
et 1.0 < nR07
ou 3.941 < MLOGP < 4.145
80.0 8 8 10
18 citrusy = 1.0
ou 2.0 < fruity
nRCOOR = 1.0
et MLOGP < 3.917
ou 12.929 < Sv < 13.778
ou 29.4 < C% < 30.0
ou 2.0 < nCs < 3.0
et nCq < 1.0
ou 11.0 < RBN < 12.0
et 215.657 < SAtot
ou 0.75 < ARR < 0.786
ou nCconj = 3.0
ou -0.213 < Hy < -0.161
et 17.305 < Se < 46.047
et nCt < 2.0
ou O% = 5.0
79.74 126 133 151
19 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
20 aldehyde < 0.0
et 1.0 < erogenic
22.036 < Sv < 25.563
ou 1.0 < nRCO
et 32.6 < C% < 43.5
ou nBM = 10.0
et 1.0 < nCIC
et nR05 < 1.0
et nR=Cp < 0.0
ou 41.912 < Se < 43.698
77.14 27 30 32
21 spicy < 0.0
et 5.0 < powdery
12.0 < nAB
et 3.587 < MLOGP < 3.719
ou 0.286 < ARR < 0.316
et 2.0 < RBN < 5.0
et nCconj < 1.0
ou 254.46 < MW < 258.44
76.92 10 11 12
22 3.0 < fruity
ou buttery = 2.0
1.0 < nRCOOR
ou -0.846 < Hy < -0.835
et 13.0 < nBT < 45.0
et 45.5 < H% < 63.4
et nCt < 1.0
ou 226.35 < MW < 226.4
ou Mi = 1.127
ou O% = 3.7
ou 235.993 < SAtot < 240.147
et 2.0 < RBN < 11.0
et 17.07 < TPSA(Tot) < 43.37
76.84 73 81 87
23 3.0 < fruity
ou 1.0 < buttery < 2.0
3.0 < nCconj < 4.0
ou 1.0 < nRCOOR
et 19.4 < Se < 45.909
ou 18.59 < Sv < 19.171
ou 57.8 < H% < 58.1
ou 3.7 < N% < 5.3
ou nCsp3 = 3.0
ou 3.186 < MLOGP < 3.275
ou 358.224 < SAtot < 371.131
et nArOR < 1.0
et -0.923 < Hy < -0.161
et 15.79 < TPSA(Tot) < 52.6
74.43 99 107 125
24 2.0 < fatty
ou 1.0 < aldehyde < 2.0
nCIC < 0.0
ou 1.0 < nRCHO
ou 1.0 < nOHp
et 2.25 < MLOGP
ou 120.16 < MW < 128.19
et nR=Cp < 0.0
ou 64.5 < H% < 64.7
et 2.0 < RBN
ou 14.929 < Sv < 15.349
et 1.0 < nCs < 12.0
71.87 46 54 56
25 1.0 < green < 2.0
ou buttery = 1.0
17.644 < Sv < 22.036
ou nO = 3.0
ou 30.0 < C% < 32.0
ou 2.289 < MLOGP < 3.866
et 45.0 < H%
ou 24.302 < Se < 24.513
ou 201.725 < SAtot < 205.326
et nN < 0.0
et O% < 12.5
ou nBT = 22.0
ou 4.5 < N% < 5.3
69.43 134 143 184
26 1.0 < green < 2.0
ou buttery = 1.0
17.644 < Sv < 22.036
ou 24.302 < Se < 24.513
ou nO = 3.0
ou 30.0 < C% < 32.0
ou 2.289 < MLOGP < 3.866
et 45.0 < H%
et O% < 12.5
ou nBT = 22.0
ou 201.725 < SAtot < 205.326
et nN < 0.0
ou 4.5 < N% < 5.3
69.43 134 143 184
27 fruity < 0.0
et 1.0 < smoky < 2.0
nO < 0.0
ou 1.0 < nArOH
et nCs < 0.0
ou nCrs = 5.0
ou 277.868 < SAtot < 278.44
et 2.0 < nBM < 11.0
et Hy < -0.235
66.66 14 15 20
28 fruity < 0.0
et 1.0 < smoky < 2.0
nO < 0.0
ou 1.0 < nArOH
et nCs < 0.0
ou nCrs = 5.0
ou 277.868 < SAtot < 278.44
et 3.0 < nCsp2 < 9.0
et Hy < -0.235
66.66 14 15 20
29 3.0 < erogenic < 7.0 O% < 2.5
et nR05 = 1.0
ou 23.831 < Sv < 25.563
et 1.114 < Mi < 1.138
64.28 9 11 12
30 2.0 < earthy < 4.0
et 1.0 < smoky
1.0 < nArOH
ou 1.0 < nPyridines
ou 3.77 < MLOGP < 4.107
et RBN < 4.0
et O% < 10.7
ou TPSA(Tot) < 0.0
et 43.8 < H% < 59.6
64.28 18 25 21
31 4.0 < watery
ou 3.0 < aldehyde < 6.0
19.305 < Sv < 19.751
ou 64.5 < H%
ou 1.0 < nRCHO
et 3.0 < RBN
et nR=Ct < 0.0
61.76 21 27 28
32 5.0 < animal nAB = 10.0
et 3.17 < Uc < 3.585
60.0 3 5 3
33 5.0 < animal 8.0 < nBM < 11.0
et nAB = 10.0
60.0 3 5 3
34 7.0 < erogenic 256.43 < MW < 258.44
et 17.0 < nSK
60.0 3 4 4
35 1.0 < metallic < 2.0
et animal < 0.0
13.876 < Sv < 22.278
ou 1.0 < nR=Cp
et nCbH < 9.0
ou nBM = 1.0
et 88.12 < MW < 254.35
ou 21.629 < Se < 22.949
ou Hy = -0.848
ou 1.977 < MLOGP < 2.083
et 1.104 < Mi
58.24 113 115 192
36 4.0 < watery < 7.0
ou 5.0 < fatty < 6.0
228.26 < MW < 232.4
ou 8.0 < RBN < 10.0
ou 2.8 < O% < 3.0
et nRCOOR < 0.0
et 3.457 < MLOGP
57.14 12 20 13
37 4.0 < coniferous < 5.0
ou 4.0 < dusty
RBN < 0.0
ou C% = 37.8
ou 298.621 < SAtot < 303.262
et 1.126 < Mi < 1.136
50.0 16 26 22

Qualités

Medicinal Coniferous Lavender Earthy Fruity Aldehyde Animal Floral Green Smoky Sweet Fatty Buttery Dusty Vegetable Erogenic Citrusy Woody Powdery Spicy Watery Metallic

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
nCsp2 number of sp2 hybridized Carbon atoms Constitutional indices 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
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
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
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
nR=Ct number of aliphatic tertiary 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
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
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
nCsp3 number of sp3 hybridized Carbon atoms Constitutional indices Basic descriptors

Visualisations