Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 09:29:03
  • 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 < nCsp2 < 3.0
et MAXDP < 74.738
et 1.186 < IC1 < 2.248
et 1.436 < SpAD_A < 3.041		 52.09 460 570 773
2 Musk 0.208 < X2v < 0.975
et 9.59 < SIC3 < 12.964
et 7.823 < SpAD_D/Dt < 8.877		 45.28 24 52 25
3 Pineapple 1.711 < IC1 < 1.772
et 9.061 < IC5 < 12.316
et 1.028 < VE2_X < 1.053
et 0.069 < SM3_Dt < 0.124		 43.75 28 52 40
4 Floral 1.0 < nBnz < 4.0
et 0.447 < SM2_H2 < 0.504
et 0.078 < VR1_H2 < 0.111
et 0.349 < SpPosA_Dt < 1.826		 41.79 372 476 786
5 Piney 3.1 < D/Dtr11
et 1.372 < IC1 < 1.846
et 0.265 < SM4_H2 < 0.332
et 1.792 < SpPos_Dz(Z) < 1.924		 40.47 17 29 30
6 Waxy 1.8 < D/Dtr11 < 5.3
et 0.103 < Vindex < 0.121
et 1.81 < TIC5 < 2.262
et 0.209 < EE_Dt < 0.252		 39.77 35 63 60
7 Ethereal 0.5 < IC1 < 2.324
et SpPos_X < 1.609
et VR1_X < 0.446
et ChiA_Dt < 1.216		 39.4 80 144 139
8 Fruity
et Pineapple		 30.4 < D/Dtr07 < 31.0
et 3.464 < IC3 < 3.906
et SM6_H2 < 0.272
et 0.043 < SM5_Dt < 0.075		 34.61 18 47 23
9 Woody 0.5 < X2v < 1.637
et 0.569 < S0K < 0.655
et 0.484 < IC1 < 1.992
et 1.099 < SpPosLog_X < 5.557		 33.7 121 223 257
10 Vanilin 0.075 < Yindex
et 1.267 < VE2_X < 1.292
et 0.474 < SM2_H2 < 0.489
et 1.273 < VE2_D/Dt < 1.491		 32.69 17 26 43
11 Oily 1.6 < D/Dtr11 < 6.2
et ON0V < 5.0
et 1.097 < IC1
et 0.116 < VR1_H2 < 0.142		 31.77 102 232 191
12 Fatty 0.19 < X% < 0.283
et 2.094 < IC3
et 0.128 < SM3_Dt < 0.18
et 0.619 < SpPos_Dz(Z) < 1.522		 31.46 56 113 121
13 Green 0.045 < X% < 0.279
et 0.204 < HyWi_Dt < 1.796
et 0.034 < SM5_Dt < 0.091
et 0.635 < VE1_Dz(Z) < 1.857		 31.34 205 357 502
14 Camphor 1.333 < Dz < 1.667
et 0.348 < HDcpx
et 1.619 < BIC3 < 2.752
et 4.453 < H_Dt < 6.994		 31.08 23 66 31
15 Balsamic 1.0 < nCsp2
et 2.236 < piPC02 < 3.674
et 1.371 < VR1_X < 3.312
et 2.626 < WiA_Dz(Z) < 4.037		 28.35 57 152 106
16 Gassy D/Dtr09 < 4.2
et 0.893 < IVDE < 6.196
et 0.983 < IC5 < 2.889
et 3.801 < SIC1 < 9.253		 28.33 17 47 30
17 Winey D/Dtr07 < 33.3
et 3.634 < IC3 < 4.405
et 0.505 < SM2_H2 < 0.528
et 0.479 < SM3_Dz(Z) < 0.726		 28.28 56 114 140
18 Rose 5.438 < IC5 < 14.476
et 1.946 < SpMaxA_X < 4.66
et 0.093 < VR1_H2 < 0.118
et 3.1 < VR1_D/Dt < 3.862		 28.08 66 176 125
19 Herbaceous 2.8 < D/Dtr11 < 21.1
et 9.648 < SpPosLog_D < 12.09
et 5.049 < VE3_Dt < 8.326
et 3.193 < SM2_D/Dt < 6.709		 27.94 230 356 697
20 Animal 41.7 < D/Dtr05
et 3.7 < D/Dtr09 < 8.3
et X2v < 0.786
et -0.004 < SIC5		 27.41 17 51 28
21 Caramelic ZM1Mad < 7.0
et ON0V = 5.0
et 1.099 < SpPos_X < 3.944
et 1.313 < VE2_D/Dt		 27.14 19 55 34
22 Caramelic ZM1Mad < 7.0
et ON1V = 5.0
et 1.099 < SpPos_X < 3.944
et 1.313 < VE2_D/Dt		 27.14 19 55 34
23 Honey 1.798 < IC1 < 2.061
et 4.15 < SpMaxA_X < 4.706
et 0.201 < SM6_H2 < 0.226
et 0.138 < VE2_H2 < 0.153		 27.02 20 56 38
24 Citrus 10.0 < RFD
et 56.727 < SRW02 < 98.0
et 0.893 < X2v
et 0.011 < CIC1 < 0.013		 26.37 24 78 37
25 Sour 0.071 < X% < 0.281
et 18.0 < IAC < 448.0
et 0.2 < HDcpx < 0.305
et 2.132 < IC1 < 3.046		 26.15 17 25 57
26 Minty IAC < 760.0
et 7.899 < SIC1 < 8.521
et 5.016 < VE3_Dt < 5.109		 25.64 20 71 27
27 Minty IAC < 760.0
et 7.899 < SIC1 < 8.521
et 5.016 < J_H2 < 5.109		 25.64 20 71 27
28 Apple 30.4 < D/Dtr07 < 31.4
et 1.48 < IC1 < 1.757
et 1.82 < IC3 < 4.077
et 0.048 < SM5_Dt < 0.077		 25.35 18 56 33
29 Medicinal NRS < 0.0
et 0.549 < S0K < 0.599
et 0.333 < HDcpx < 0.352
et 2.135 < SpAD_Dz(Z) < 2.476		 24.63 17 41 45
30 Hyacinth NRS < 0.0
et 4.219 < J_X < 4.394
et Ho_X < 3.976
et 0.034 < SM5_Dt < 0.045		 23.94 17 31 57
31 Spicy 0.877 < CID < 1.206
et 907.0 < X4sol < 2086.0
et 4.269 < IC5 < 14.141
et 2.338 < VR1_D/Dt < 2.626		 23.69 50 133 128
32 Orange 2.7 < D/Dtr11 < 5.3
et 1.333 < X2v < 1.79
et 8.769 < IDDE < 10.716
et 19.833 < TIC1 < 53.191		 23.61 17 32 57
33 Leafy X% < 0.25
et SpPos_X < 3.584
et 0.234 < SpMAD_Dt < 0.286
et 0.889 < SM5_Dz(Z) < 0.936		 22.72 20 64 44

Qualités

Ethereal Medicinal Apple Orange Pineapple Gassy Caramelic Balsamic Fruity Honey Animal Vanilin Rose Piney Floral Green Fatty Leafy Citrus Minty Waxy Winey Camphor Oily Hyacinth Woody Musk Spicy Sour Herbaceous

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
VE2_H2 average coefficient of the last eigenvector from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
Vindex Balaban V index Information indices Basic descriptors
nCsp2 number of sp2 hybridized Carbon atoms Constitutional indices Basic descriptors
VE3_Dt logarithmic coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
EE_Dt Estrada-like index (log function) from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
VR1_H2 Randic-like eigenvector-based index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
VE2_X average coefficient of the last eigenvector from chi matrix 2D matrix-based descriptors Chi matrix (X)
IVDE mean information content on the vertex degree equality Information indices Basic descriptors
SM4_H2 spectral moment of order 4 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
SM5_Dt spectral moment of order 5 from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
IC5 Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
H_Dt Harary-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
IC3 Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
IC1 Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
IDDE mean information content on the distance degree equality Information indices Basic descriptors
SIC5 Structural Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
SpMAD_Dt spectral mean absolute deviation from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SIC3 Structural Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
SIC1 Structural Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
BIC3 Bond Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
VE1_Dz(Z) coefficient sum of the last eigenvector from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
X2v valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
SM2_H2 spectral moment of order 2 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
SpAD_Dz(Z) spectral absolute deviation from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
VR1_D/Dt Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SM3_Dt spectral moment of order 3 from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
NRS number of ring systems Ring descriptors Basic descriptors
nBnz number of benzene-like rings Ring descriptors Basic descriptors
J_H2 Balaban-like index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
MAXDP maximal electrotopological positive variation Topological indices E-state indices
ChiA_Dt average Randic-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SpPosA_Dt normalized spectral positive sum from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SpPos_X spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpAD_D/Dt spectral absolute deviation from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
J_X Balaban-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
ON1V overall modified Zagreb index of order 1 by valence vertex degrees Topological indices Vertex degree-based indices
HyWi_Dt hyper-Wiener-like index (log function) from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
WiA_Dz(Z) average Wiener-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
Dz Pogliani index Topological indices Vertex degree-based indices
VR1_X Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors Chi matrix (X)
SM2_D/Dt spectral moment of order 2 from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
Yindex Balaban Y index Information indices Basic descriptors
SM5_Dz(Z) spectral moment of order 5 from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
X4sol solvation connectivity index of order 4 Connectivity indices Solvation connectivity indices
SM3_Dz(Z) spectral moment of order 3 from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
TIC5 Total Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
SpPos_Dz(Z) spectral positive sum from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
IAC total information index on atomic composition Information indices Basic descriptors
TIC1 Total Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
CIC1 Complementary Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
SRW02 self-returning walk count of order 2 Walk and path counts Self-returning walk counts
CID Randic ID number Walk and path counts ID numbers
D/Dtr11 distance/detour ring index of order 11 Ring descriptors Basic descriptors
SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpMaxA_X normalized leading eigenvalue from chi matrix 2D matrix-based descriptors Chi matrix (X)
Ho_X Hosoya-like index (log function) from chi matrix 2D matrix-based descriptors Chi matrix (X)
VE2_D/Dt average coefficient of the last eigenvector from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
ON0V overall modified Zagreb index of order 0 by valence vertex degrees Topological indices Vertex degree-based indices
ZM1Mad first Zagreb index by Madan vertex degrees Topological indices Vertex degree-based indices
X% percentage of halogen atoms Constitutional indices Basic descriptors
SM6_H2 spectral moment of order 6 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
HDcpx graph distance complexity index (log function) Information indices Basic descriptors
S0K Kier symmetry index Information indices Basic descriptors
RFD ring fusion density Ring descriptors Basic descriptors
D/Dtr09 distance/detour ring index of order 9 Ring descriptors Basic descriptors
piPC02 molecular multiple path count of order 2 Walk and path counts Multiple path counts
SpPosLog_D logarithmic spectral positive sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
D/Dtr07 distance/detour ring index of order 7 Ring descriptors Basic descriptors
D/Dtr05 distance/detour ring index of order 5 Ring descriptors Basic descriptors

Visualisations