Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:55:23
  • 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 Fatty X% < 0.189
ou Psi_e_1d = 60.0
ou 40.428 < MWC01 < 41.867
ou 164.78 < MWC03 < 169.3
ou 110.481 < SRW08 < 113.098
ou 3.417 < MPC06 < 3.486
ou 2.35 < X2v < 2.404
ou 2932.0 < X4sol < 3040.0
ou 1412.0 < RDSQ < 1474.0
ou 5.508 < IDET < 5.614
ou 0.479 < S0K < 0.492
ou 1.678 < IC1 < 1.689
ou 0.071 < IC3 < 1.714
ou 7.914 < IC5 < 8.702
ou 53.0 < SpMaxA_A
ou 8.416 < VR3_D < 8.547
ou 2.491 < H_Dt < 2.652
ou 1.118 < HyWi_Dt < 1.223
ou 0.828 < SpPosA_Dt < 0.855
ou 0.177 < EE_Dt < 0.179
ou SM3_Dt < 0.108
ou 6.679 < SpAD_D/Dt < 6.951
ou 2.085 < VR2_Dz(Z) < 2.153
96.88 1555 1576 1584
2 Ethereal 19.224 < Sp
ou nR05 = 1.0
ou 46.2 < MWC03 < 55.52
ou 36.727 < SRW02 < 41.273
ou 23.661 < SRW04 < 24.433
ou 4.95 < MPC02 < 5.367
ou MPC04 = 1.778
ou 1.639 < MPC06 < 1.729
ou 668.0 < X4sol < 734.0
ou 7.377 < IDE < 7.416
ou 2.337 < IC1 < 2.6
ou 4.81 < IC5 < 5.042
ou 18.482 < TIC1 < 20.087
ou 1.021 < BIC3 < 1.028
ou 0.483 < VR1_X < 0.52
ou 0.464 < SM2_H2 < 0.49
ou 0.1 < VR1_H2 < 0.106
ou SpMax_Dt < 0.558
ou 3.55 < SM2_D/Dt < 3.59
ou SM3_Dz(Z) < 0.677
et 36.97 < MWC05
ou 60.04 < SRW06 < 62.52
ou 0.687 < SpAD_H2 < 0.713
96.19 1544 1545 1604
3 Winey 201.74 < MWC03 < 204.02
ou 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 218.0 < X4A < 238.0
ou 14.875 < X4v < 15.219
ou 818.0 < X4sol < 854.0
ou 0.224 < HDcpx < 0.232
ou 0.111 < Vindex < 0.113
ou IC1 < 1.133
ou 5.312 < IC5 < 6.618
ou 2.521 < TIC5 < 2.528
ou 6.3 < SIC3 < 6.503
ou 1.359 < BIC3 < 1.427
ou 1.128 < VE2_X
ou SM2_H2 < 0.502
ou SM6_H2 = 0.237
ou 1.094 < H_Dt < 1.441
ou 0.062 < SM5_Dt < 0.064
ou 27.791 < SpPosLog_D/Dt < 37.411
ou 5.101 < SpAD_D/Dt < 5.121
ou 8.181 < SM2_D/Dt
ou 0.734 < SM3_Dz(Z) < 0.756
95.7 1536 1575 1566
4 Balsamic 4.0 < nHet < 6.0
ou 1.0 < NRS
ou 2.8 < D/Dtr11 < 3.2
ou 281.55 < MWC03 < 289.0
ou 205.091 < SRW02 < 213.0
ou 260.58 < SRW06 < 268.92
ou 2.582 < X4 < 3.089
ou 6.094 < X4v < 6.167
ou 3634.0 < X4sol < 3937.0
ou 186.0 < X1MulPer < 196.0
ou 0.175 < Vindex < 0.177
ou 0.479 < IC3 < 1.729
ou 13.031 < IC5 < 13.525
ou 11.901 < TIC1 < 12.897
ou 4.802 < BIC1 < 5.097
ou 1.669 < BIC3 < 1.766
ou SpPosLog_X < 4.302
ou 3.862 < SpMaxA_X < 4.217
ou 3.281 < VR3_X < 3.341
ou 12.042 < VR3_H2 < 13.101
ou 3.612 < H_Dt < 3.723
ou 83.172 < SpPosLog_D/Dt < 87.107
95.32 1530 1537 1598
5 Rose 30.8 < D/Dtr07 < 31.4
ou 243.471 < BAC < 287.954
ou 78.532 < MWC01 < 80.104
ou 101.67 < MWC03 < 114.12
ou 97.994 < MWC05 < 106.886
ou 54.987 < SRW04 < 55.319
ou 236.59 < SRW06 < 242.36
ou 180.734 < SRW08 < 196.684
ou 1.452 < CID < 1.497
ou 241.0 < X2Av < 256.0
ou 2916.0 < X4sol < 2963.0
ou 5153.0 < RDSQ < 5974.0
ou 0.111 < Vindex < 0.118
ou 1.959 < IC1
ou 26.833 < TIC3 < 28.0
ou SpAD_A < 2.3
ou 7.52 < Chi_D < 7.579
ou 4.04 < SpAD_X < 4.044
ou 2.661 < SpMaxA_H2 < 2.693
ou 4.207 < H_Dt < 4.28
ou 1.01 < HyWi_Dt < 1.02
ou 0.22 < SpMAD_Dt < 0.225
ou 45.483 < J_D/Dt < 46.054
ou 0.372 < SM3_Dz(Z) < 0.471
93.39 1499 1513 1591
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 4.5 < SM6_X < 4.511
ou 1.852 < ChiA_Dt < 1.946
ou 1.02 < SpPosA_Dt < 1.088
ou 0.098 < EE_Dt < 0.104
et SpMax_Dt < 0.977
ou 81.065 < MWC01 < 81.971
85.58 1371 1373 1600
9 Green
ou Hyacinth
ZM2V < 1.0
et 0.93 < SM5_Dz(Z) < 1.034
ou 5.632 < Sv < 5.661
ou 0.242 < X%
ou 147.5 < MWC03 < 150.69
ou 5.838 < IDET < 6.014
ou 1.711 < IC1 < 1.744
ou 5.914 < SIC3 < 5.937
ou 0.341 < SM4_H2 < 0.346
ou VE2_D/Dt < 1.075
et CID < 3.149
ou 85.169 < MWC05 < 86.755
ou 573.0 < X4sol < 588.0
ou 5.848 < IC5 < 6.051
ou 6.297 < SpAD_D/Dt < 6.304
et HyWi_Dt < 5.881
ou 75.0 < X4A < 76.0
83.95 1345 1349 1598
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 5.363 < SpMaxA_D/Dt < 5.437
et MAXDP < 165.741
et VR1_X < 2.484
ou 6.656 < SpAD_X < 7.157
ou 3.531 < SpPosLog_H2 < 3.553
77.61 1238 1239 1594
11 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
et VR1_X < 2.484
ou 6.656 < SpAD_X < 7.157
77.61 1238 1239 1594
12 Floral
ou Lilly
9.01 < Sp < 11.031
ou 0.778 < X2v < 0.8
ou 2084.0 < RDSQ < 2196.0
ou 248.0 < X1MulPer < 263.0
ou 0.576 < S0K < 0.604
ou 0.177 < IC3 < 1.865
ou 12.862 < IC5 < 13.195
ou BIC5 < -0.003
ou 5.668 < SpPos_H2 < 5.866
ou 0.305 < SM4_H2 < 0.319
et SpPos_X < 6.067
ou 226.183 < MWC05 < 226.951
ou 337.41 < SRW06 < 345.9
76.76 1232 1233 1604
13 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
14 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
15 Fruity
ou Winey
34.0 < BAC < 119.736
ou piPC02 < 2.0
ou 1416.0 < X4sol < 1518.0
ou 1.985 < IC1 < 2.337
ou 0.121 < VR1_X < 0.173
ou 2.779 < SpPosLog_H2 < 2.832
ou SM6_H2 = 0.241
ou 0.564 < SpPosA_Dt < 0.592
et PHI < 19.858
ou 0.214 < SNar < 0.4
ou 2.15 < H_Dt < 2.289
ou 0.947 < AVS_D/Dt < 0.971
ou 2.885 < SpAD_Dz(Z) < 2.901
74.04 1187 1191 1599

Qualités

Balsami Fatt Wood Wine Ros Flora Fruit Gree Jasmin Etherea Earthy Hyacinth Ethereal Winey Lilly Oil

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
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)
SpMax_Dt leading eigenvalue from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
RDSQ reciprocal distance sum inverse Randic-like index Connectivity indices Randic-like 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)
X4v valence connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
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)
S0K Kier symmetry index Information indices Basic descriptors
nR05 number of 5-membered rings Ring descriptors Basic descriptors
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)
MPC10 molecular path count of order 10 Walk and path counts Path counts
BIC5 Bond Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
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
SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
Vindex Balaban V index Information indices Basic descriptors
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
IDDE mean information content on the distance degree equality Information indices Basic descriptors
SNar Narumi simple topological index (log function) Topological indices Vertex degree-based indices
MPC06 molecular path count of order 6 Walk and path counts Path counts
MPC04 molecular path count of order 4 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)
MPC02 molecular path count of order 2 (Gordon-Scantlebury index) 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)
X4A average connectivity index of order 4 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)
VR1_X Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors Chi matrix (X)
Psi_e_1d electrotopological state pseudoconnectivity index - type 1d Topological indices E-state indices
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)
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
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)
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)
X1MulPer multiplicative perturbation connectivity index Connectivity indices Randic-like connectivity indices
D/Dtr11 distance/detour ring index of order 11 Ring descriptors Basic descriptors
SRW08 self-returning walk count of order 8 Walk and path counts Self-returning walk counts
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
AVS_D/Dt average vertex sum from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
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)
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
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)
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))
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_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)
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
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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