Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:47:58
  • 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 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 2.18 < BIC1 < 2.194
ou 1.224 < ChiA_Dt < 3.262		 94.7 1520 1545 1580
2 Fatty 78.91 < SRW08 < 83.786
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 1.133 < HyWi_Dt < 1.223
ou 0.732 < SpMax_Dt
ou 0.123 < SM3_Dt < 0.125
ou SM5_Dt < 0.07		 92.52 1485 1576 1514
3 Balsamic 11.0 < nHet < 12.0
ou NRS = 1.0
ou 2.398 < X4 < 3.131
ou 186.0 < X1MulPer < 196.0
ou 13.68 < IC5 < 15.183
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		 91.9 1475 1537 1543
4 Woody S0K < 0.586
et 3.497 < Chi_D < 9.024
ou 35.1 < D/Dtr07 < 35.5
ou 114.497 < MWC05 < 130.397
ou 272.0 < X2Av < 315.0
ou 3.872 < IDDE < 4.031
ou 1.685 < IC1 < 1.739
ou 5.112 < SM6_X < 5.22
ou 8.949 < VE3_Dt < 9.571
ou 0.786 < SM5_Dz(Z)		 90.09 1446 1466 1585
5 Rose 33.723 < Mv < 34.821
ou 317.0 < X1MulPer < 357.0
ou 11.961 < IDDE < 12.722
ou 0.111 < Vindex < 0.114
ou 0.058 < Yindex < 0.06
ou 1.959 < IC1
ou 4.948 < SpAD_X < 5.16
ou 4.761 < Ho_D/Dt < 4.845
ou VR1_D/Dt < 3.131
ou 1.004 < VE1_Dz(Z) < 1.112		 89.15 1431 1513 1523
6 Oily 6.062 < Sv
ou 0.212 < X% < 0.234
ou 137.885 < BAC < 141.885
ou 105.06 < MWC03 < 148.71
ou 1.42 < CID < 1.43
ou IVDE < 9.437
ou 9.594 < SpPosLog_D < 9.625
ou 0.491 < SM2_H2 < 0.501
ou 1.331 < HyWi_Dt < 1.347
ou 0.458 < SpPosA_Dt < 0.629		 88.9 1427 1457 1575
7 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 IC1 < 1.133
ou 5.312 < IC5 < 6.618
ou 1.128 < VE2_X
ou SM2_H2 < 0.502
ou 27.791 < SpPosLog_D/Dt < 37.411
ou 8.181 < SM2_D/Dt		 88.78 1425 1575 1455
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 484.0 < X4sol < 701.0
ou 1.792 < SpPos_X < 1.946		 83.3 1337 1373 1569
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		 82.8 1329 1349 1585
10 Floral
ou Jasmin		 43.4 < D/Dtr07 < 44.4
ou 132.0 < MWC09 < 144.0
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 52.2 < D/Dtr05 < 53.3
ou 278.59 < SRW06 < 284.43		 76.51 1225 1239 1587
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 0.057 < SM5_Dt < 0.06
ou 2.037 < VR2_Dz(Z) < 2.251
et X% < 0.308
et PHI < 19.858
ou 2.942 < IVDE < 3.342		 74.81 1185 1192 1577
12 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
13 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
14 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		 56.25 45 66 59
15 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
16 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
17 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
18 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
19 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
20 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)
S0K Kier symmetry index Information indices Basic descriptors
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)
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
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
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
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
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
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
X2Av average valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
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
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
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
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
SM6_X spectral moment of order 6 from chi matrix 2D matrix-based descriptors Chi matrix (X)
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
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)
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
SM3_L spectral moment of order 3 from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
SpAD_D/Dt spectral absolute deviation from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)

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