Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 07:57:43
  • 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 2.0 < aldehyde < 5.0
ou 6.0 < woody
et 1.0 < citrusy
1.144 < Mi < 1.146
et Ui < 0.0
et 3.186 < MLOGP < 4.44
100.0 5 5 5
9 4.0 < coniferous < 5.0
ou 4.0 < dusty
et metallic < 1.0
et floral < 1.0
RBN < 0.0
et 3.0 < nCs < 8.0
et 1.0 < nCq
100.0 7 7 7
10 citrusy < 0.0
et fatty < 2.0
18.0 < nSK
ou 35.6 < C%
ou nRCO = 1.0
ou -0.172 < MLOGP < 2.573
86.63 188 196 209
11 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
12 3.0 < tart
et 1.0 < medicinal < 3.0
et 1.0 < smoky
1.0 < nPyridines
ou TPSA(Tot) < 0.0
et 41.7 < C% < 50.0
85.71 6 7 6
13 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
14 2.0 < animal < 3.0
ou 7.0 < erogenic
et tart < 1.0
17.0 < nSK
et nCt < 2.0
et 384.96 < SAtot < 438.243
84.61 11 12 12
15 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
16 8.0 < woody 15.0 < nC < 16.0
ou 1.0 < nR07
et nCt = 3.0
83.33 5 6 5
17 4.0 < green < 5.0
et 3.0 < aldehyde < 6.0
ou 5.0 < watery
et sourish < 1.0
172.3 < MW
et 1.0 < nCt < 2.0
et 1.0 < nRCHO
83.33 5 6 5
18 medicinal < 0.0
et buttery < 3.0
3.0 < RBN
ou 13.0 < nC
ou H% < 42.9
ou 1.0 < nRCHO
82.48 179 192 204
19 medicinal < 0.0
et sweet < 5.0
12.0 < nSK < 21.0
ou 4.5 < O% < 7.1
ou nR06 < 0.0
et nArOH < 0.0
81.69 174 190 197
20 6.0 < floral
et 1.0 < lavender
1.0 < nOHt
et 2.545 < MLOGP < 2.894
80.0 4 4 5
21 7.0 < woody RBN < 0.0
et 1.0 < nR07
ou 3.941 < MLOGP < 4.145
80.0 8 8 10
22 4.0 < watery < 7.0
ou 5.0 < fatty < 6.0
et green < 2.0
et 2.0 < floral < 4.0
8.0 < RBN < 10.0
et O% < 3.0
77.77 7 8 8
23 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
24 3.0 < floral < 6.0
et fruity < 1.0
et 5.0 < powdery
12.0 < nAB
et 3.587 < MLOGP < 3.719
ou 0.286 < ARR < 0.316
et nCconj < 1.0
75.0 9 10 11
25 3.0 < floral < 6.0
et fruity < 1.0
et 5.0 < powdery
12.0 < nAB
et 3.587 < MLOGP < 3.719
ou 0.286 < ARR < 0.316
et nR=Cs < 1.0
75.0 9 10 11
26 3.0 < lavender
ou 3.0 < fruity
ou buttery = 2.0
et medicinal < 0.0
3.0 < RBN
et 10.0 < nH < 26.0
et 45.5 < H%
et 1.0 < nRCOOR
73.33 66 81 75
27 aldehyde < 0.0
et medicinal < 0.0
et 1.0 < erogenic
22.036 < Sv < 25.563
ou 1.0 < nRCO
et 32.6 < C% < 40.5
et 363.761 < SAtot < 438.243
70.37 19 23 23
28 3.0 < sourish < 4.0
et citrusy = 1.0
ou lavender = 4.0
et 2.0 < fruity < 6.0
5.0 < O% < 9.5
et 3.0 < nCsp2 < 5.0
et nRCOOR = 1.0
70.0 14 15 19
29 3.0 < sourish < 4.0
et citrusy = 1.0
ou lavender = 4.0
et 2.0 < fruity < 6.0
3.0 < nCsp2 < 5.0
et nRCOOR = 1.0
et 1.619 < MLOGP < 3.584
70.0 14 15 19
30 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
31 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
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 3.0 < medicinal
ou 1.0 < smoky < 2.0
et green < 1.0
et 2.0 < metallic
1.0 < RBN < 4.0
et 1.0 < nArOH
et 1.859 < MLOGP < 3.386
57.14 8 13 9
35 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
36 honey < 0.0
et buttery = 1.0
et animal < 0.0
et 1.0 < powdery < 6.0
nO = 3.0
et nCconj < 0.0
ou 358.224 < SAtot < 371.131
et 1.112 < Mi < 1.14
50.0 14 19 23

Qualités

Medicinal Coniferous Lavender Fruity Tart Aldehyde Honey Sourish 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
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
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
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
nR=Cs number of aliphatic secondary C(sp2) Functional group counts 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
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

Visualisations