Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 02 nov. 2014 20:02:52
  • 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 X% < 0.107
ou 257.55 < MWC03 < 264.94
ou 12.019 < piPC04 < 13.693
ou 1.687 < IC1 < 1.899
ou 0.682 < SM5_Dz(Z) < 0.786		 72.63 1043 1119 1360
2 Floral 4.546 < IC5 < 5.315
ou 1.178 < VR1_X < 3.312
ou 0.163 < SM6_H2 < 0.185
ou 2.357 < VR1_D/Dt < 2.406
ou 1.459 < WiA_Dz(Z) < 1.971		 69.22 994 1213 1217
3 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
et 5.815 < SIC3 < 12.964		 55.55 30 52 32
4 Vanilin 19.403 < Mv < 19.516
ou 1.267 < VE2_X < 1.292
et 1.511 < IC3 < 3.461
ou VR3_X = 3.342
et 10.0 < D/Dtr11		 54.54 18 26 25
5 Green 3.781 < IC3
et 0.415 < HyWi_Dt < 5.881
ou 0.458 < MPC06 < 0.746
ou 13.675 < IDET
ou IVDE < 1.765		 53.76 772 1332 876
6 Pineapple 1.711 < IC1 < 1.772
et 1.028 < VE2_X < 1.053
ou 3.743 < SpPos_H2 < 3.745
ou 1.943 < ChiA_Dt < 1.947
et 0.039 < SM3_Dt < 0.124		 49.29 35 52 54
7 Herbaceous 95.971 < MWC01
ou HDcpx < 0.269
et SM5_Dt < 0.335
ou 12.0 < ZM1MulPer < 14.0
ou 0.635 < S0K		 48.29 693 1333 795
8 Herbaceous 95.971 < MWC01
ou 0.635 < S0K
ou HDcpx < 0.269
et SM5_Dt < 0.335
ou 12.0 < ZM1MulPer < 14.0		 48.29 693 1333 795
9 Piney 3.1 < D/Dtr11
et 1.372 < IC1 < 1.846
et 1.792 < SpPos_Dz(Z) < 1.924
ou Wi_D = 6.845
et 1.099 < SM3_L < 4.094		 47.36 18 29 27
10 Waxy 0.209 < EE_Dt < 0.211
ou 0.105 < SM5_Dt < 0.126
et 0.226 < HDcpx < 0.25
ou 7.902 < X0A < 7.922
et 1.813 < TIC5 < 2.262		 42.85 36 63 57
11 Camphor 1.333 < Dz < 1.667
et 4.453 < H_Dt < 6.994
ou 48.0 < MWC01 < 48.104
ou 85.007 < MWC05 < 85.163
ou 1.343 < SM5_Dz(Z) < 1.531		 42.69 38 66 61
12 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
et 0.13 < VR1_X < 0.483		 41.46 17 25 33
13 Ethereal 0.5 < IC1 < 2.324
et SpPos_X < 1.609
et VR1_X < 0.446
et ChiA_Dt < 1.216
ou 0.863 < VE2_D/Dt < 0.918		 41.17 84 144 144
14 Minty 7.669 < VE2_D < 7.682
ou 5.016 < VE3_Dt < 5.109
et 7.899 < SIC1 < 11.002
ou 90.465 < SRW02 < 90.636
ou IDDE = 2.297		 40.65 37 71 57
15 Minty 7.669 < VE2_D < 7.682
ou 5.016 < J_H2 < 5.109
et 7.899 < SIC1 < 11.002
ou 90.465 < SRW02 < 90.636
ou IDDE = 2.297		 40.65 37 71 57
16 Gassy D/Dtr09 < 4.2
et 0.983 < IC5 < 2.889
ou 0.925 < IC1 < 0.943
et 2.638 < SIC3 < 7.171
ou 0.91 < IVDE < 0.942		 36.36 24 47 43
17 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
ou 1.65 < SpPos_Dz(Z) < 1.7		 36.22 138 223 296
18 Citrus 0.241 < EE_Dt < 0.247
ou 46.85 < SpPosLog_D/Dt < 47.528
et 1.683 < TIC5 < 2.208
ou BIC1 = 5.982
ou 6.772 < VE2_D < 6.774		 36.08 35 78 54
19 Rose 1.479 < X2v < 2.245
et 0.147 < VE2_H2 < 0.179
ou 2.403 < IC3 < 2.645
ou 3.779 < H_Dz(Z) < 3.783
et 1.893 < TIC5 < 2.417		 35.84 95 176 184
20 Caramelic 14.778 < Sp < 14.923
ou ON0V = 5.0
ou X4Av = 8.0
et 2.511 < VR2_Dz(Z)
ou MWC09 = 220.0		 35.71 30 55 59
21 Oily 8.515 < IVDE
ou 6.447 < VE2_D < 6.6
et 0.101 < SM3_Dt < 0.203
ou 1.151 < CID < 1.155
ou 0.641 < VR1_X < 0.701		 35.67 132 232 270
22 Medicinal 0.333 < HDcpx < 0.352
ou 4.447 < SpPos_X < 4.46
ou 2.703 < VR2_Dz(Z) < 2.707
et 3.761 < Chi_X < 4.355
et 1.574 < VE1_Dz(Z) < 1.945		 35.0 21 41 40
23 Fatty 9.888 < SM2_X < 9.931
ou SpMax_Dt = 0.658
ou 0.128 < SM3_Dt < 0.18
et 0.19 < X% < 0.283
ou 4.67 < WiA_Dt < 4.671		 34.8 71 113 162
24 Animal 3.7 < D/Dtr09 < 8.3
et X2v < 0.786
ou 13.075 < SIC1 < 13.33
et 20.0 < nAT < 52.0
ou 0.523 < X0sol < 0.65		 34.24 25 51 47
25 Balsamic 60.82 < X2 < 62.297
ou 1.371 < VR1_X < 3.312
ou 9.557 < VR3_H2 < 9.632
et 2.236 < piPC02 < 3.674
et 2.626 < WiA_Dz(Z) < 4.037		 34.24 75 152 142
26 Apple 30.4 < D/Dtr07 < 31.4
et 1.48 < IC1 < 1.757
et 0.048 < SM5_Dt < 0.077
ou 30.651 < SRW04 < 31.651
ou 0.691 < SM3_Dz(Z) < 0.696		 33.73 28 56 55
27 Orange 8.769 < IDDE < 10.716
ou SM4_H2 = 0.395
ou J_D/Dt = 39.192
et Rbrid < 25.0
et 2.7 < D/Dtr11 < 4.5		 32.69 17 32 37
28 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
ou 14.958 < Chi_H2 < 15.079		 32.46 25 56 46
29 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
et 0.27 < HDcpx < 0.322		 31.14 19 31 49
30 Winey 3.634 < IC3 < 4.405
et 0.505 < SM2_H2 < 0.528
et 0.479 < SM3_Dz(Z) < 0.726
ou 9.971 < X0A < 10.234
ou CIC1 = -0.028		 30.37 65 114 165
31 Spicy 3.081 < X4 < 3.733
ou 4.863 < J_X < 4.934
et 37.0 < D/Dtr07 < 52.9
et 1.589 < IC3 < 3.482
ou 36.577 < Psi_i_1 < 48.65		 28.2 55 133 117
32 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
et 0.958 < CID < 1.321		 27.77 30 64 74

Qualités

Ethereal Medicinal Apple Orange Pineapple Flora Gassy Balsamic Caramelic Honey Animal Vanilin Rose Piney Fatty Leafy Citrus Gree Minty Waxy Winey Camphor Oily Hyacinth Woody Musk Spicy Herbaceou Fruit Sour

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)
SpMax_Dt leading eigenvalue 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)
VE3_Dt logarithmic coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
X0A average connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
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)
Wi_D Wiener-like index from topological distance matrix (Wiener index) 2D matrix-based descriptors Topological distance matrix (D)
S0K Kier symmetry index Information indices Basic descriptors
H_Dz(Z) Harary-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
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
SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
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
VR3_H2 logarithmic Randic-like eigenvector-based index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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
Psi_i_1 intrinsic state pseudoconnectivity index - type 1 Topological indices E-state indices
MPC06 molecular path count of order 6 Walk and path counts Path counts
SpPos_H2 spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
X4 connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
X2 connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
VR3_X logarithmic Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors Chi matrix (X)
X0sol solvation connectivity index of order 0 Connectivity indices Solvation 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
MWC09 molecular walk count of order 9 Walk and path counts Walk counts
IC1 Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
MWC05 molecular walk count of order 5 Walk and path counts Walk counts
MWC03 molecular walk count of order 3 Walk and path counts Walk counts
piPC04 molecular multiple path count of order 4 Walk and path counts Multiple path counts
MWC01 molecular walk count of order 1 Walk and path counts Walk counts
piPC02 molecular multiple path count of order 2 Walk and path counts Multiple path counts
ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices Vertex degree-based indices
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)
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)
Chi_H2 Randic-like index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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
VE2_H2 average coefficient of the last eigenvector from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
SM2_H2 spectral moment of order 2 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
SpPosLog_D/Dt logarithmic spectral positive sum 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)
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
WiA_Dt average Wiener-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
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
SM6_H2 spectral moment of order 6 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
VR1_D/Dt Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
Chi_X Randic-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
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))
SM3_L spectral moment of order 3 from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
Rbrid ring bridge count Ring descriptors Basic descriptors
SpAD_D/Dt spectral absolute deviation from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)

Visualisations