Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 09:27:46
  • 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 0.04 < X% < 0.22
et 0.078 < VR1_H2 < 0.111
et 0.349 < SpPosA_Dt < 2.219
et 0.996 < VE2_D/Dt < 1.595		 41.51 350 476 717
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 VR1_X < 0.446
et ChiA_Dt < 1.109
et SpPosA_Dt < 0.252		 37.17 71 144 118
8 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
9 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
10 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
11 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
12 Fatty 0.188 < X% < 0.299
et 1.779 < IC3
et 0.093 < SM5_Dt < 0.128
et 0.619 < SpPos_Dz(Z) < 1.506		 29.28 53 113 121
13 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
14 Phenolic 0.5 < S2K < 0.75
et 1.702 < IC3 < 3.391
et 0.816 < SpAD_A < 1.461
et 0.454 < SM2_H2 < 0.483		 28.33 17 24 53
15 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
16 Balsamic 3.3 < D/Dtr11 < 13.0
et 8.0 < ZM1MulPer
et 2.236 < piPC02 < 3.674
et 4.071 < Chi_X < 5.276		 27.94 57 152 109
17 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
18 Camphor X% < 0.073
et 0.571 < GNar < 0.8
et 0.348 < HDcpx
et 0.073 < SM3_Dt < 0.094		 27.39 20 66 27
19 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
20 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
21 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
22 Anisic 0.472 < IC1 < 1.158
et 0.479 < IC3 < 1.967
et 1.166 < VR1_X < 2.367
et 24.706 < J_D/Dt < 40.1		 26.15 17 30 52
23 Minty IAC < 760.0
et 7.899 < SIC1 < 8.521
et 5.016 < VE3_Dt < 5.109		 25.64 20 71 27
24 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
25 Rose 1.479 < X2v < 2.245
et 0.857 < IC1 < 1.957
et 0.217 < SM6_H2 < 0.256
et 0.147 < VE2_H2 < 0.179		 25.11 57 176 108
26 Citrus 40.997 < SRW04 < 50.0
et 2.508 < IC5 < 8.804
et 1.386 < SpPosLog_X
et 46.85 < SpPosLog_D/Dt < 47.528		 24.69 20 78 23
27 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
28 Winey 3.622 < IC3 < 4.418
et 0.099 < VR1_X < 0.721
et 0.357 < SM4_H2 < 0.373
et 0.537 < SpMax_Dt < 0.699		 24.57 43 114 104
29 Banana 85.091 < SRW02 < 119.091
et 1.678 < IC1 < 1.896
et 0.252 < SM6_H2 < 0.26
et 0.036 < SM5_Dt < 0.088		 24.28 17 30 57
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 1.732 < piPC02 < 2.345
et 3.081 < X4 < 3.733
et 22.444 < TIC3 < 31.5
et 16.725 < SM1_Dz(Z)		 23.68 45 133 102
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
34 Tobacco 2.38 < X0A < 5.248
et 0.826 < IDET < 1.844
et 0.19 < SM6_H2 < 0.228
et 2.008 < WiA_Dt < 3.675		 18.68 17 33 75
35 Buterry 2.0 < ZM1MulPer < 3.0
et 1.614 < IC1 < 2.16
et 0.616 < SpMax_Dt < 0.683
et 1.792 < VR2_Dz(Z) < 2.528		 18.47 17 28 81
36 Ambre 6.246 < SpMaxA_D/Dt < 7.541
et 2.25 < WiA_Dz(Z) < 3.725
et 0.506 < SM5_Dz(Z) < 0.915
et 1.556 < VR2_Dz(Z) < 2.903		 17.17 17 37 79
37 Nut 2.773 < VR2_L < 3.239
et 0.846 < HyWi_Dt < 1.837
et 2.264 < AVS_D/Dt < 2.611
et 0.379 < SM3_Dz(Z) < 0.552		 17.0 17 47 70
38 Earthy 4.0 < ZM1Mad < 15.0
et 1.367 < IC1 < 1.675
et 18.827 < SM1_Dz(Z) < 32.217
et 2.065 < VR2_Dz(Z) < 2.778		 16.79 22 83 70
39 Berry 1.245 < CID < 1.343
et 1.187 < SpAD_A < 2.522
et 0.117 < EE_Dt < 0.188
et 0.644 < SM5_Dz(Z) < 1.112		 14.04 17 44 94
40 Apricot 0.107 < X% < 0.283
et 1.684 < IC1 < 1.822
et 0.471 < SpMaxA_H2 < 3.237
et 0.978 < SpPos_Dz(Z) < 1.384		 13.63 18 28 122
41 Tarry X% < 0.1
et 0.545 < S2K
et 10.0 < X2Av < 136.0
et -0.024 < CIC1		 12.87 17 22 127
42 Jasmin 34.3 < D/Dtr07 < 44.4
et 85.636 < SRW02 < 174.909
et 0.986 < MPC06 < 2.833
et 0.143 < VE2_H2 < 0.151		 12.68 17 29 122
43 Orange-blossom 7.0 < ZM1MulPer
et 4.247 < Chi_X < 5.303
et 2.151 < Ho_X < 7.27
et 0.084 < EE_Dt < 0.126		 12.05 17 25 133
44 Peachy nBnz = 2.0
et 1.375 < MPC06 < 3.667
et MPC08 < 5.0
et 0.052 < Yindex < 0.078		 9.18 17 19 183
45 Pear nBnz = 2.0
et 58.8 < D/Dtr05 < 62.9
et LPRS < 0.0
et 1.321 < VE1_Dz(Z) < 2.527		 8.99 17 23 183
46 Almond X% < 0.133
et ZM1Mad < 6.0
et SpMaxA_A < 10.0
et SpMaxA_X < 5.154		 8.71 17 24 188
47 Hay 0.353 < S2K < 0.667
et 122.758 < SRW02 < 246.091
et 1.225 < piPC02 < 2.828
et 2.639 < SpPosA_L < 3.466		 6.91 17 22 241
48 Creamy 2.0 < N% < 4.0
et 1.0 < nCsp2 < 4.0
et -0.005 < SIC5 < 0.028
et 0.394 < SM3_Dz(Z) < 0.897		 5.1 17 28 322
49 Plum nCsp2 < 2.0
et 1.0 < nBnz < 3.0
et 4.0 < ZM1Mad < 8.0
et 0.693 < SpMAD_L < 3.091		 3.71 17 19 456
50 Lilly 26.0 < nO < 53.0
et 4.0 < N% < 8.0
et 0.8 < X2A
et SM2_D < 0.0		 3.68 17 25 453

Qualités

Hay Apricot Banana Balsamic Leafy Honey Plum Apple Waxy Fruity Woody Orange-blossom Medicinal Creamy Peachy Jasmin Fatty Rose Citrus Tarry Minty Pear Anisic Vanilin Almond Piney Pineapple Orange Gassy Lilly Musk Ethereal Winey Ambre Tobacco Animal Floral Buterry Earthy Spicy Green Phenolic Hyacinth Nut Oily Caramelic Berry Herbaceous Sour Camphor

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
SM2_D spectral moment of order 2 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)
GNar Narumi geometric topological index Topological indices Vertex degree-based indices
VE3_Dt logarithmic coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
ZM1Mad first Zagreb index by Madan vertex degrees Topological indices Vertex degree-based indices
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
N% percentage of N atoms Constitutional 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)
SM1_Dz(Z) spectral moment of order 1 from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
S0K Kier symmetry index Information indices Basic descriptors
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
nBnz number of benzene-like rings Ring descriptors Basic descriptors
SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
Vindex Balaban V index Information indices Basic descriptors
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)
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
MPC08 molecular path count of order 8 Walk and path counts Path counts
MPC06 molecular path count of order 6 Walk and path counts Path counts
SpPosLog_D logarithmic spectral positive sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
X4 connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
SpPosA_L normalized spectral positive sum from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
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))
VR2_L normalized Randic-like eigenvector-based index from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
IC5 Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
X2Av average valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
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
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
SM2_D/Dt spectral moment of order 2 from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SpPosA_Dt normalized spectral positive sum from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices Vertex degree-based indices
SpMaxA_H2 normalized leading eigenvalue from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
D/Dtr11 distance/detour ring index of order 11 Ring descriptors Basic descriptors
CID Randic ID number Walk and path counts ID numbers
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))
AVS_D/Dt average vertex sum from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
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
SIC5 Structural Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
nO number of Oxygen atoms Constitutional indices Basic descriptors
LPRS log of product of row sums (PRS) Topological indices Distance-based indices
HyWi_Dt hyper-Wiener-like index (log function) from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
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))
SpMaxA_X normalized leading eigenvalue from chi matrix 2D matrix-based descriptors Chi matrix (X)
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
TIC3 Total Information Content index (neighborhood symmetry of 3-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)
TIC1 Total Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
X2A average connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
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)
Yindex Balaban Y index Information indices Basic descriptors
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
IAC total information index on atomic composition Information indices Basic descriptors
NRS number of ring systems 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
D/Dtr05 distance/detour ring index of order 5 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))
SpMaxA_A normalized leading eigenvalue from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
SpMaxA_D/Dt normalized leading eigenvalue from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
S2K 2-path Kier alpha-modified shape index Topological indices Path/walk indices
SM6_H2 spectral moment of order 6 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
Chi_X Randic-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpMAD_L spectral mean absolute deviation from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
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))
MAXDP maximal electrotopological positive variation Topological indices E-state indices
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)

Visualisations