Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 09:38:20
  • 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
ou Herbaceous
ou Waxy
ou Woody		 S2K < 0.5
et 0.552 < IC1
et 3.296 < SM6_X < 7.407
et 1.379 < WiA_Dz(Z) < 4.143		 63.9 901 1022 1289
2 Fruity
ou Oily
ou Spicy
ou Woody		 1.0 < nHet < 8.0
et S2K < 0.625
et 1.584 < IC3 < 5.066
et 7.505 < CIC5 < 9.083		 57.46 793 980 1193
3 Fruity
ou Oily
ou Spicy
ou Woody		 1.0 < nHet < 8.0
et S2K < 0.625
et 1.584 < IC3 < 5.066
et 2.005 < TIC5 < 3.583		 57.46 793 980 1193
4 Fruity
ou Herbaceous
ou Vanilin
ou Waxy		 0.114 < X% < 0.314
et 0.075 < Vindex < 0.225
et 3.296 < SM6_X < 7.4
et 1.031 < VE2_D/Dt < 1.658		 56.8 693 894 1019
5 Citrus
ou Fruity
ou Leafy
ou Woody		 1.0 < nCsp2 < 3.0
et 2.0 < piPC02
et 2.574 < IDDE < 13.7
et 2.996 < SM6_X < 7.256		 56.36 691 861 1056
6 Fruity
ou Gassy
ou Herbaceous
ou Waxy		 0.19 < HDcpx < 0.302
et 0.075 < Vindex < 0.172
et 1.773 < TIC5 < 3.315
et 1.379 < SpAD_A < 3.447		 52.51 637 909 941
7 Fruity 0.202 < HDcpx < 0.224
ou 3.301 < IC3 < 4.862
et 2.9 < D/Dtr11 < 25.0
et 1.436 < SpAD_A < 3.041		 52.41 467 570 788
8 Musk 0.208 < X2v < 0.975
et 7.823 < SpAD_D/Dt < 8.877
ou 130.0 < SRW02 < 130.545
ou 2.967 < SpMaxA_H2 < 2.984		 51.72 30 52 36
9 Citrus
ou Fruity
ou Spicy
ou Violet		 1.584 < IC3
et 1.436 < SpAD_A < 2.984
et 2.996 < SM6_X < 6.865
et 0.475 < SM2_H2 < 0.604		 51.04 562 747 916
10 Anisic
ou Fruity		 3.8 < D/Dtr11 < 25.0
et 121.471 < BAC
et 1.429 < SpAD_A < 3.041
et SpPos_X < 4.633		 50.72 454 597 752
11 Caramelic
ou Floral
ou Minty
ou Nut		 0.447 < SM2_H2 < 0.504
et 0.287 < SM4_H2 < 0.391
et 1.554 < H_Dt < 8.211
et 0.994 < VE2_D/Dt < 1.683		 45.89 481 629 900
12 Pineapple 1.711 < IC1 < 1.772
et 9.061 < IC5 < 12.316
et 1.028 < VE2_X < 1.053
ou 1.943 < ChiA_Dt < 1.947		 44.92 31 52 48
13 Vanilin 19.403 < Mv < 19.516
ou 1.267 < VE2_X < 1.292
et 11.574 < Mp < 14.625
et 1.511 < IC3 < 3.461		 42.5 17 26 31
14 Ethereal
ou Sour		 6.3 < D/Dtr11 < 30.0
et DECC < 0.0
et SpPos_X < 1.609
et ChiA_Dt < 1.252		 41.39 89 169 135
15 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
16 Waxy 0.103 < Vindex < 0.121
et 1.81 < TIC5 < 2.262
et 0.209 < EE_Dt < 0.252
ou 1.192 < VE2_X < 1.194		 40.0 38 63 70
17 Ethereal
ou Green
ou Musk
ou Orange		 X% < 0.3
et 1.282 < IDET < 14.636
et 0.333 < S0K < 0.528
et IC1 < 2.324		 39.52 317 565 554
18 Camphor
ou Ethereal
ou Floral
ou Green		 1.707 < SpPos_H2 < 6.544
et 0.034 < SM5_Dt < 0.091
et 18.5 < J_D/Dt < 51.44
et 0.966 < VE2_D/Dt < 1.601		 39.38 460 904 724
19 Ethereal 0.631 < HyWi_Dt < 0.679
ou SpPosA_Dt < 0.252
et 0.052 < IC1 < 2.324
et VR1_X < 0.42		 39.33 83 144 150
20 Camphor 1.333 < Dz < 1.667
et 4.453 < H_Dt < 6.994
ou 85.007 < MWC05 < 85.163
ou 1.343 < SM5_Dz(Z) < 1.531		 39.08 34 66 55
21 Sour 2.132 < IC1 < 3.046
ou 2.899 < BIC1 < 2.91
et 78.79 < SRW06 < 152.92
et 5.796 < Chi_D < 7.241		 37.77 17 25 37
22 Minty 7.669 < VE2_D < 7.682
ou 5.016 < VE3_Dt < 5.109
et 7.899 < SIC1 < 11.002
ou IDDE = 2.297		 36.66 33 71 52
23 Minty 7.669 < VE2_D < 7.682
ou 5.016 < J_H2 < 5.109
et 7.899 < SIC1 < 11.002
ou IDDE = 2.297		 36.66 33 71 52
24 Woody 0.569 < S0K < 0.655
et 0.484 < IC1 < 1.992
et 1.099 < SpPosLog_X < 5.557
ou 64.997 < SRW04 < 65.322		 34.93 131 223 283
25 Oily 33.322 < SRW04 < 36.993
ou 7.97 < IVDE
et 0.103 < SM3_Dt
ou 1.151 < CID < 1.155		 34.03 130 232 280
26 Berry
ou Herbaceous
ou Musk
ou Vanilin		 S2K < 0.632
et 0.678 < IC1 < 2.859
et 9.648 < SpPosLog_D < 12.09
et 4.972 < SpAD_D/Dt < 9.377		 33.88 327 468 824
27 Fatty 9.888 < SM2_X < 9.931
ou 0.128 < SM3_Dt < 0.18
et 0.19 < X% < 0.283
ou 13.75 < X0v < 16.792		 33.01 69 113 165
28 Citrus 40.997 < SRW04 < 50.0
et 46.85 < SpPosLog_D/Dt < 47.528
ou 6.772 < VE2_D < 6.774
ou 0.241 < EE_Dt < 0.247		 33.0 33 78 55
29 Caramelic 14.778 < Sp < 14.923
ou ON0V = 5.0
ou X4Av = 8.0
et 2.511 < VR2_Dz(Z)		 32.14 27 55 56
30 Gassy D/Dtr09 < 4.2
et 0.983 < IC5 < 2.889
ou 0.925 < IC1 < 0.943
et 2.638 < SIC3 < 7.171		 31.81 21 47 40
31 Rose 0.093 < VR1_H2 < 0.118
et 3.1 < VR1_D/Dt < 3.862
ou 2.403 < IC3 < 2.645
et 1.893 < TIC5 < 2.456		 31.77 95 176 218
32 Animal 3.7 < D/Dtr09 < 8.3
et X2v < 0.786
ou 13.075 < SIC1 < 13.33
et 20.0 < nAT < 52.0		 31.42 22 51 41
33 Balsamic 60.82 < X2 < 62.297
ou 1.371 < VR1_X < 3.312
et 2.236 < piPC02 < 3.674
et 2.626 < WiA_Dz(Z) < 4.037		 31.33 68 152 133
34 Apple 30.4 < D/Dtr07 < 31.4
et 0.048 < SM5_Dt < 0.077
ou 30.651 < SRW04 < 31.651
ou 0.691 < SM3_Dz(Z) < 0.696		 29.59 29 56 71
35 Medicinal 0.333 < HDcpx < 0.352
ou 4.447 < SpPos_X < 4.46
et 0.805 < IC1 < 1.94
et 1.574 < VE1_Dz(Z) < 1.894		 29.03 18 41 39
36 Winey 3.634 < IC3 < 4.405
et 0.505 < SM2_H2 < 0.528
et 0.479 < SM3_Dz(Z) < 0.726
ou CIC1 = -0.028		 28.84 60 114 154
37 Honey 3.841 < SpPos_X < 3.862
ou 4.15 < SpMaxA_X < 4.706
et 9.507 < IC5 < 15.272
et 0.099 < VR1_H2 < 0.106		 28.0 21 56 40
38 Orange 8.769 < IDDE < 10.716
ou J_D/Dt = 39.192
et Rbrid < 25.0
et 2.7 < D/Dtr11 < 5.1		 25.75 17 32 51
39 Hyacinth 4.219 < J_X < 4.394
et Ho_X < 3.976
et 0.034 < SM5_Dt < 0.045
ou 6.743 < SpPos_H2 < 6.805		 25.6 21 31 72
40 Spicy 907.0 < X4sol < 2086.0
et 4.269 < IC5 < 14.141
et 2.338 < VR1_D/Dt < 2.626
ou 2.644 < SpAD_Dz(Z) < 2.656		 25.53 60 133 162
41 Leafy 0.234 < SpMAD_Dt < 0.286
et 0.889 < SM5_Dz(Z) < 0.936
ou ZM2V = 2.0
ou 144.258 < SRW08 < 145.126		 24.6 31 64 93

Qualités

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

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
J_H2 Balaban-like index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
Chi_D Randic-like index from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
BAC Balaban centric index Topological indices Centric indices
SpPos_X spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
VE3_Dt logarithmic coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SM3_Dt spectral moment of order 3 from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
IDET total information content on the distance equality Information indices Basic descriptors
VE2_X average coefficient of the last eigenvector from chi matrix 2D matrix-based descriptors Chi matrix (X)
SM5_Dt spectral moment of order 5 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)
S0K Kier symmetry index Information indices Basic descriptors
VE2_D average coefficient of the last eigenvector from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
H_Dt Harary-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
J_D/Dt Balaban-like index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/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))
VR1_H2 Randic-like eigenvector-based index 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
BIC1 Bond Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
CIC5 Complementary Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
Vindex Balaban V index Information indices Basic descriptors
Dz Pogliani index Topological indices Vertex degree-based indices
CIC1 Complementary Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
VE2_D/Dt average coefficient of the last eigenvector from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
ZM2V second Zagreb index by valence vertex degrees Topological indices Vertex degree-based indices
ON0V overall modified Zagreb index of order 0 by valence vertex degrees Topological indices Vertex degree-based indices
IDDE mean information content on the distance degree equality Information indices Basic descriptors
DECC eccentric Topological indices Distance-based indices
SpPosLog_D logarithmic spectral positive sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
SpPos_H2 spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
X2 connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
X4Av average valence connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
X2v valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
ChiA_Dt average Randic-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
Ho_X Hosoya-like index (log function) from chi matrix 2D matrix-based descriptors Chi matrix (X)
VR1_X Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors Chi matrix (X)
X% percentage of halogen atoms Constitutional 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))
nAT number of atoms Constitutional indices Basic descriptors
IC5 Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
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
X4sol solvation connectivity index of order 4 Connectivity indices Solvation connectivity indices
MWC05 molecular walk count of order 5 Walk and path counts Walk counts
nHet number of heteroatoms Constitutional indices Basic descriptors
SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
piPC02 molecular multiple path count of order 2 Walk and path counts Multiple path counts
SpPosA_Dt normalized spectral positive sum from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SRW08 self-returning walk count of order 8 Walk and path counts Self-returning walk counts
D/Dtr11 distance/detour ring index of order 11 Ring descriptors Basic descriptors
SpMaxA_H2 normalized leading eigenvalue 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))
CID Randic ID number Walk and path counts ID numbers
SRW06 self-returning walk count of order 6 Walk and path counts Self-returning walk counts
SpMAD_Dt spectral mean absolute deviation from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SRW04 self-returning walk count of order 4 Walk and path counts Self-returning walk counts
SRW02 self-returning walk count of order 2 Walk and path counts Self-returning walk counts
HyWi_Dt hyper-Wiener-like index (log function) from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SpMaxA_X normalized leading eigenvalue from chi matrix 2D matrix-based descriptors Chi matrix (X)
VR2_Dz(Z) normalized Randic-like eigenvector-based index from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
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
TIC5 Total Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
SpPosLog_D/Dt logarithmic spectral positive sum from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SM2_H2 spectral moment of order 2 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
J_X Balaban-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
SM6_X spectral moment of order 6 from chi matrix 2D matrix-based descriptors Chi matrix (X)
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))
D/Dtr09 distance/detour ring index of order 9 Ring descriptors Basic descriptors
IVDE mean information content on the vertex degree equality Information indices Basic descriptors
D/Dtr07 distance/detour ring index of order 7 Ring descriptors Basic descriptors
X0v valence connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
SM4_H2 spectral moment of order 4 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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))
Mv mean atomic van der Waals volume (scaled on Carbon atom) Constitutional indices Basic descriptors
S2K 2-path Kier alpha-modified shape index Topological indices Path/walk indices
Mp mean atomic polarizability (scaled on Carbon atom) Constitutional indices Basic descriptors
VR1_D/Dt Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SM2_X spectral moment of order 2 from chi matrix 2D matrix-based descriptors Chi matrix (X)
Sp sum of atomic polarizabilities (scaled on Carbon atom) Constitutional indices Basic descriptors
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))
Rbrid ring bridge count Ring descriptors Basic descriptors
nCsp2 number of sp2 hybridized Carbon atoms Constitutional indices Basic descriptors
SpAD_D/Dt spectral absolute deviation from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)

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