Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:50:43
  • 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 X% < 0.189
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 SM3_Dt < 0.108
ou 6.679 < SpAD_D/Dt < 6.951
92.83 1490 1576 1519
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 30.8 < D/Dtr07 < 31.4
ou 101.67 < MWC03 < 114.12
ou 180.734 < SRW08 < 196.684
ou 5153.0 < RDSQ < 5974.0
ou 0.111 < Vindex < 0.118
ou 1.959 < IC1
ou SpAD_A < 2.3
ou 7.52 < Chi_D < 7.579
ou 4.207 < H_Dt < 4.28
ou 0.372 < SM3_Dz(Z) < 0.471
89.28 1433 1513 1525
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 Floral
ou Lilly
0.576 < S0K < 0.604
ou 0.177 < IC3 < 1.865
ou BIC5 < -0.003
ou 0.305 < SM4_H2 < 0.319
et SpPos_X < 6.064
ou 3.5 < MPC04 < 3.667
ou 2006.0 < RDSQ < 2196.0
ou 0.062 < Yindex < 0.067
ou 12.862 < IC5 < 13.057
ou 5.668 < SpPos_H2 < 5.866
76.44 1227 1233 1599
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 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
13 Fruity
ou Winey
PHI < 19.858
et 0.121 < VR1_X < 0.173
ou 14.0 < H% < 15.0
ou 34.0 < BAC < 123.885
ou 137.1 < SRW06 < 137.96
ou 3.496 < X4 < 3.59
ou 7.083 < X0v < 7.154
ou 1.992 < IC1 < 2.333
ou 11.943 < IC5 < 13.422
ou 2.747 < SpPosLog_H2 < 2.832
73.64 1182 1191 1596

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)
VE3_Dt logarithmic coefficient sum of the last eigenvector 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)
H% percentage of H atoms Constitutional indices Basic descriptors
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)
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)
BIC5 Bond Information Content index (neighborhood symmetry of 5-order) Information indices Indices of neighborhood symmetry
BIC1 Bond Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
Vindex Balaban V index Information indices Basic descriptors
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
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)
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
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)
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)
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
nHet number of heteroatoms Constitutional indices Basic descriptors
SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
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
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)
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
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)
SpMaxA_A normalized leading eigenvalue from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
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
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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