Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 09:42:30
  • 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 Ethereal 31.4 < D/Dtr07
et 0.613 < IDET
et SM4_H2 < 0.421
ou 8.807 < Sv < 9.079
ou nR05 = 1.0
ou 64.78 < MWC03 < 70.53
ou 25.408 < SRW02 < 29.515
ou 149.04 < SRW06 < 169.76
ou 2.349 < IC1 < 2.6
ou 2.066 < IC3 < 2.168
ou 9.966 < IC5 < 10.207
ou 2.18 < BIC1 < 2.194
ou 0.608 < SpAD_H2 < 0.661
ou 1.224 < ChiA_Dt < 3.262		 95.57 1534 1545 1594
2 Fatty 78.91 < SRW08 < 83.786
ou 7.311 < IDET < 7.6
ou 49.14 < TIC1 < 53.202
ou 1.763 < TIC5 < 1.858
ou SpAD_A < 1.891
ou 8.416 < VR3_D < 8.547
ou 0.098 < VR1_H2 < 0.106
ou 2.491 < H_Dt < 2.652
ou 2.581 < ChiA_Dt < 2.708
ou 1.133 < HyWi_Dt < 1.223
ou 0.828 < SpPosA_Dt < 0.855
ou 0.732 < SpMax_Dt
ou 0.123 < SM3_Dt < 0.125
ou SM5_Dt < 0.07
ou 4.107 < WiA_Dz(Z) < 4.244		 94.76 1521 1576 1550
3 Balsamic 11.0 < nHet < 12.0
ou NRS = 1.0
ou 39.195 < Psi_i_1 < 47.931
ou 230.59 < MWC03 < 232.75
ou 174.46 < SRW06 < 179.92
ou 2.398 < X4 < 3.131
ou 186.0 < X1MulPer < 196.0
ou 3.782 < IDET < 3.868
ou 13.68 < IC5 < 15.183
ou 14.229 < SIC1 < 14.789
ou 4.76 < BIC1 < 4.796
ou 4.654 < Ho_D < 4.673
ou SpMaxA_X < 4.15
ou 1.163 < VE2_X < 1.221
ou 3.577 < SM2_D/Dt < 3.888		 94.01 1509 1537 1577
4 Winey 59.651 < SRW04 < 62.638
ou 99.96 < SRW06 < 112.74
ou 53.922 < SRW08 < 72.392
ou 2.639 < MPC06 < 2.75
ou 50.514 < X2 < 50.884
ou 0.224 < HDcpx < 0.232
ou IC1 < 1.133
ou 5.312 < IC5 < 6.618
ou 1.128 < VE2_X
ou SM2_H2 < 0.502
ou 1.094 < H_Dt < 1.441
ou 0.062 < SM5_Dt < 0.064
ou 27.791 < SpPosLog_D/Dt < 37.411
ou 8.181 < SM2_D/Dt
ou 0.734 < SM3_Dz(Z) < 0.756		 91.96 1476 1575 1506
5 Rose 33.723 < Mv < 34.821
ou 1.441 < CID < 1.487
ou 4740.0 < X4sol < 4967.0
ou 317.0 < X1MulPer < 357.0
ou 11.961 < IDDE < 12.722
ou 4.569 < IDET < 5.204
ou 0.111 < Vindex < 0.114
ou 0.058 < Yindex < 0.06
ou 1.959 < IC1
ou 7.733 < IC5 < 8.637
ou 4.948 < SpAD_X < 5.16
ou 0.121 < VR1_H2 < 0.124
ou 4.761 < Ho_D/Dt < 4.845
ou VR1_D/Dt < 3.131
ou 1.004 < VE1_Dz(Z) < 1.112		 91.4 1467 1513 1559
6 Woody 35.1 < D/Dtr07 < 35.5
ou 122.632 < MWC05 < 130.038
ou 130.2 < SRW06 < 132.8
ou MPC10 = 32.0
ou 7.353 < X0v < 7.941
ou 769.0 < X2sol < 816.0
ou 3.872 < IDDE < 4.031
ou 0.152 < Vindex < 0.156
ou 2.001 < IC1 < 3.505
ou 34.0 < TIC3 < 35.417
ou 7.836 < SIC3 < 7.928
ou 2.157 < ChiA_Dt < 2.235
ou 0.283 < SpMAD_Dt < 0.29
ou SpPos_Dz(Z) < 1.661
ou 1.996 < VE1_Dz(Z) < 2.126		 90.96 1460 1466 1599
7 Oily 0.212 < X% < 0.234
ou 128.0 < MWC09 < 130.0
ou 1.202 < CID < 1.219
ou 1668.0 < X4sol < 2071.0
ou IDDE < 9.999
ou 2.891 < IC3 < 3.235
ou 12.969 < IC5 < 13.065
ou 63.139 < TIC1 < 66.259
ou 5.226 < BIC1 < 5.228
ou 1.973 < BIC3 < 1.992
ou 9.594 < SpPosLog_D < 9.625
ou 0.492 < SM2_H2 < 0.501
ou 3.276 < H_Dt < 3.452
ou 0.145 < SM3_Dt < 0.146
ou 5.61 < Ho_D/Dt < 5.687		 89.9 1443 1457 1591
8 Earthy
ou Green		 6.153 < IVDE < 8.453
ou 42.102 < TIC1 < 57.314
et ZM2V < 1.0
ou 249.207 < BAC
ou 122.461 < MWC05 < 132.357
ou 0.063 < Yindex < 0.067
ou 6.547 < Wi_D < 6.635
et HyWi_Dt < 5.881
ou 147.1 < SRW06 < 147.84
ou 8.8 < X0v < 9.25
ou 484.0 < X4sol < 701.0
ou 0.198 < IC3 < 1.061
ou 7.003 < SIC3 < 7.271
ou 1.792 < SpPos_X < 1.946
ou 1.02 < SpPosA_Dt < 1.088		 84.79 1361 1373 1593
9 Green
ou Hyacinth		 ZM2V < 1.0
et 0.93 < SM5_Dz(Z) < 1.034
ou 0.242 < X%
ou 1.711 < IC1 < 1.744
ou VE2_D/Dt < 1.075
et CID < 3.149
ou 5.632 < Sv < 5.676
ou 147.5 < MWC03 < 150.69
ou 573.0 < X4sol < 588.0
ou 5.838 < IDET < 6.014
ou 5.848 < IC5 < 6.051
ou 0.341 < SM4_H2 < 0.346
ou 4.056 < SM2_D/Dt < 4.129
ou 3.252 < WiA_Dz(Z) < 3.278
et HyWi_Dt < 5.881		 83.7 1341 1349 1594
10 Floral
ou Jasmin		 6.409 < Sv < 6.478
ou 43.4 < D/Dtr07 < 44.4
ou 132.0 < MWC09 < 144.0
ou 279.63 < SRW06 < 284.43
ou 4.789 < X4 < 5.012
ou 1232.0 < XMOD < 1435.0
ou SM3_L < 1.386
ou 0.204 < SM6_H2 < 0.214
ou 1.471 < VE2_D/Dt < 1.532
et SpPos_X < 6.067
ou 3.635 < IDDE < 3.859
ou 4.353 < J_X < 4.406
ou 3.531 < SpPosLog_H2 < 3.553
ou 5.363 < SpMaxA_D/Dt < 5.437
et MAXDP < 165.741		 77.36 1237 1239 1597
11 Ethereal
ou Fruity		 IDDE < 5.814
ou 1.687 < IC1 < 1.771
ou 5.574 < BIC1 < 5.599
ou 7.385 < Chi_D < 7.408
ou 2.036 < HyWi_Dt < 3.223
ou 2.037 < VR2_Dz(Z) < 2.251
et X% < 0.308
ou 1.465 < ChiA_Dt < 1.525
et PHI < 19.858
ou 2.942 < IVDE < 3.342
ou 2.747 < SpPosLog_H2 < 2.832
ou SM5_Dt = 0.06		 75.0 1188 1192 1580
12 Ethereal
ou Fruity		 IDDE < 5.814
ou 1.687 < IC1 < 1.771
ou 5.574 < BIC1 < 5.599
ou 7.385 < Chi_D < 7.408
ou 2.036 < HyWi_Dt < 3.223
ou 2.037 < VR2_Dz(Z) < 2.251
et X% < 0.308
ou 1.465 < ChiA_Dt < 1.525
ou SM5_Dt = 0.06
et PHI < 19.858
ou 2.942 < IVDE < 3.342
ou 2.747 < SpPosLog_H2 < 2.832		 75.0 1188 1192 1580
13 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 4.699 < X0A < 8.441
et 0.039 < SM3_Dt < 0.124
et 1.931 < VR2_Dz(Z)
ou VE2_D = 7.336
ou Ho_D/Dt = 3.678
et 5.371 < Wi_D < 6.425		 64.91 37 52 42
14 Musk 0.208 < X2v < 0.975
et 7.823 < SpAD_D/Dt < 8.877
ou 130.0 < SRW02 < 130.545
et 5.815 < SIC3 < 12.964
ou 13.0 < ON0V < 14.0
et 11.597 < IDE
ou IDET = 4.621
et 22.559 < TIC1		 62.26 33 52 34
15 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
et VE2_D/Dt < 1.188
ou 529.0 < X4sol < 545.0
ou VE1_Dz(Z) = 1.997
et X% < 0.171
ou VE1_Dt = 11.475
et 0.722 < WiA_Dz(Z) < 3.457		 60.27 44 66 51
16 Waxy 0.103 < Vindex < 0.121
et 2.423 < IC3 < 3.482
et 0.105 < SM5_Dt < 0.126
ou MW = 184.36
ou 0.21 < EE_Dt < 0.211
et 4.76 < Sv < 5.32
ou 1.192 < VE2_X < 1.194
et 0.114 < X% < 0.296
et 2.197 < AVS_X < 3.801		 51.47 35 63 40
17 Waxy 0.103 < Vindex < 0.121
et 2.423 < IC3 < 3.482
et 0.105 < SM5_Dt < 0.126
ou 0.21 < EE_Dt < 0.211
et 4.76 < Sv < 5.32
ou Sp = 19.036
ou 1.192 < VE2_X < 1.194
et 0.114 < X% < 0.296
et 2.197 < AVS_X < 3.801		 51.47 35 63 40
18 Waxy 0.103 < Vindex < 0.121
et 2.423 < IC3 < 3.482
et 0.105 < SM5_Dt < 0.126
ou MW = 184.36
ou 0.21 < EE_Dt < 0.211
et 4.76 < Sv < 5.32
et 0.167 < X% < 0.296
ou 1.192 < VE2_X < 1.194
et 2.197 < AVS_X < 3.801		 51.47 35 63 40
19 Minty 7.899 < SIC1 < 8.521
et 5.016 < VE3_Dt < 5.109
ou 90.465 < SRW02 < 90.636
ou SRW04 = 77.983
ou IDDE = 2.297
ou 1.572 < IVDE < 1.609
ou 9.342 < VR3_D < 9.35
et ZM1MulPer < 5.0
et HDcpx < 0.392		 51.28 40 71 47
20 Minty 7.899 < SIC1 < 8.521
et 5.016 < J_H2 < 5.109
ou 90.465 < SRW02 < 90.636
ou SRW04 = 77.983
ou IDDE = 2.297
ou 1.572 < IVDE < 1.609
ou 9.342 < VR3_D < 9.35
et ZM1MulPer < 5.0
et HDcpx < 0.392		 51.28 40 71 47
21 Minty 7.899 < SIC1 < 8.521
et 30.672 < J_D/Dt < 31.232
ou 90.465 < SRW02 < 90.636
ou SRW04 = 77.983
ou IDDE = 2.297
ou 1.572 < IVDE < 1.609
ou 9.342 < VR3_D < 9.35
et ZM1MulPer < 5.0
et HDcpx < 0.392		 51.28 40 71 47

Qualités

Ethereal Wine Pineapple Earthy Flora Etherea Ros Gree Minty Waxy Jasmin Camphor Wood Hyacinth Musk Balsami Oil Fatt Fruit

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
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)
VE1_Dt coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
MW molecular weight Constitutional indices Basic descriptors
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)
Ho_D/Dt Hosoya-like index (log function) from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
Wi_D Wiener-like index from topological distance matrix (Wiener index) 2D matrix-based descriptors Topological distance matrix (D)
nR05 number of 5-membered rings Ring descriptors 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))
MPC10 molecular path count of order 10 Walk and path counts Path counts
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
BIC3 Bond Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
SpAD_H2 spectral absolute deviation from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
BIC1 Bond Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
IDE mean information content on the distance equality Information indices Basic descriptors
Vindex Balaban V index Information indices Basic descriptors
Dz Pogliani index Topological indices Vertex degree-based indices
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
PHI Kier flexibility index Topological indices Path/walk 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)
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
SpAD_X spectral absolute deviation from chi matrix 2D matrix-based descriptors Chi matrix (X)
X2v valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
SpPosLog_H2 logarithmic spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
ChiA_Dt average Randic-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
AVS_X average vertex sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
X% percentage of halogen atoms Constitutional indices Basic descriptors
X2sol solvation connectivity index of order 2 Connectivity indices Solvation connectivity indices
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))
IC5 Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
VR3_D logarithmic Randic-like eigenvector-based index from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
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
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
MWC03 molecular walk count of order 3 Walk and path counts Walk counts
MWC01 molecular walk count of order 1 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)
ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices Vertex degree-based indices
Ho_D Hosoya-like index (log function) from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
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)
X1MulPer multiplicative perturbation connectivity index Connectivity indices Randic-like connectivity indices
SRW08 self-returning walk count of order 8 Walk and path counts Self-returning walk counts
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)
XMOD modified Randic index Connectivity indices Randic-like connectivity indices
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)
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
TIC1 Total Information Content index (neighborhood symmetry of 1-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)
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))
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
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))
SpMaxA_D/Dt normalized leading eigenvalue from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
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)
Sv sum of atomic van der Waals volumes (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)
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)
MAXDP maximal electrotopological positive variation Topological indices E-state indices
SpAD_D/Dt spectral absolute deviation from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)

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