Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:09:16
  • 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 2.349 < IC1
ou 1.792 < SpPos_X
ou 2.049 < WiA_H2 < 2.132
ou 1.22 < ChiA_Dt < 2.893		 91.9 1475 1545 1535
2 Fatty SpAD_A < 1.891
ou 8.416 < VR3_D < 8.547
ou 0.123 < SM3_Dt < 0.125
ou SM5_Dt < 0.07		 87.6 1406 1576 1435
3 Woody S0K < 0.586
et 3.497 < Chi_D < 9.024
ou 114.497 < MWC05 < 130.397
ou 0.786 < SM5_Dz(Z)		 87.41 1403 1466 1542
4 Oily 105.06 < MWC03 < 148.71
ou IVDE < 9.437
ou 0.491 < SM2_H2 < 0.501
ou 0.458 < SpPosA_Dt < 0.629		 86.85 1394 1457 1542
5 Balsamic 1.9 < D/Dtr09 < 5.7
ou SpMaxA_X < 4.156
ou 1.163 < VE2_X < 1.221
ou 3.577 < SM2_D/Dt < 3.888		 86.1 1382 1537 1450
6 Rose 0.111 < Vindex < 0.114
ou 0.058 < Yindex < 0.06
ou 1.959 < IC1
ou VR1_D/Dt < 3.131		 82.74 1328 1513 1420
7 Green
ou Hyacinth		 ZM2V < 1.0
et 0.93 < SM5_Dz(Z) < 1.034
ou 0.242 < X%
ou 1.711 < IC1 < 1.744		 80.23 1287 1349 1542
8 Winey X% < 0.196
ou 36.727 < SRW02 < 70.727
ou 1.219 < VE2_X
ou SpPos_Dz(Z) < 0.808		 79.68 1279 1575 1309
9 Berry
ou Ethereal
ou Fruity
ou Plum		 IDDE < 5.814
ou 1.687 < IC1 < 1.771
ou 0.129 < VR1_H2 < 0.13
ou 2.036 < HyWi_Dt < 3.223		 75.82 1214 1240 1575
10 Floral
ou Jasmin
ou Lillac
ou Lilly		 VR1_X < 2.484
et 0.479 < SM2_H2 < 0.484
ou 1.971 < X0sol < 2.23
ou 3.807 < SM6_X < 4.804		 75.45 1211 1270 1546
11 Musk 0.208 < X2v < 0.975
et 7.823 < SpAD_D/Dt < 8.877
ou 130.0 < SRW02 < 130.545
ou 2.967 < SpMaxA_H2 < 2.984		 51.72 30 52 36
12 Caramelic
ou Floral
ou Minty
ou Nut		 5.666 < Wi_D < 5.694
ou 0.078 < VR1_H2 < 0.111
ou 2.264 < AVS_D/Dt < 2.611
et 1.0 < nBnz < 4.0		 45.86 499 629 958
13 Pineapple 1.711 < IC1 < 1.772
et 9.061 < IC5 < 12.316
et 1.028 < VE2_X < 1.053
ou 1.943 < ChiA_Dt < 1.947		 44.92 31 52 48
14 Vanilin 19.403 < Mv < 19.516
ou 1.267 < VE2_X < 1.292
et 11.574 < Mp < 14.625
et 1.511 < IC3 < 3.461		 42.5 17 26 31
15 Earthy
ou Ethereal
ou Oily
ou Woody		 0.231 < X% < 0.31
ou 54.5 < D/Dtr05 < 64.5
ou 1.367 < IC1 < 1.675
ou HyWi_Dt < 0.728		 41.57 565 638 1286
16 Balsamic
ou Ethereal
ou Green
ou Tarry		 0.545 < S2K
ou 4.551 < IDDE < 9.967
ou J_D < 8.395
ou 4.025 < Chi_X < 4.229		 41.18 579 634 1351
17 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
18 Waxy 0.103 < Vindex < 0.121
et 1.81 < TIC5 < 2.262
et 0.209 < EE_Dt < 0.252
ou 1.192 < VE2_X < 1.194		 40.0 38 63 70
19 Camphor
et Fruity		 0.571 < GNar < 0.8
ou 4.117 < BIC1 < 4.156
et IC1 < 1.395
ou 1.343 < SM5_Dz(Z) < 1.531		 39.5 32 63 50
20 Sour 2.132 < IC1 < 3.046
ou 2.899 < BIC1 < 2.91
et 78.79 < SRW06 < 152.92
et 5.796 < Chi_D < 7.241		 37.77 17 25 37
21 Anisic
ou Ethereal
ou Sour
et Floral		 0.479 < IC3 < 1.967
ou SpPos_X < 1.609
et HyWi_Dt < 0.715
ou 2.661 < VR1_D/Dt < 2.662		 37.45 112 183 228
22 Minty 7.669 < VE2_D < 7.682
ou 5.016 < VE3_Dt < 5.109
et 7.899 < SIC1 < 11.002
ou IDDE = 2.297		 36.66 33 71 52
23 Citrus 40.997 < SRW04 < 50.0
et 46.85 < SpPosLog_D/Dt < 47.528
ou 6.772 < VE2_D < 6.774
ou 0.241 < EE_Dt < 0.247		 33.0 33 78 55
24 Ambre
ou Honey
ou Oily
ou Pear		 140.25 < MW < 148.17
ou 8.515 < IVDE
ou 6.246 < SpMaxA_D/Dt < 7.541
et 0.669 < HyWi_Dt < 3.445		 32.16 175 343 376
25 Caramelic 14.778 < Sp < 14.923
ou ON0V = 5.0
ou X4Av = 8.0
et 2.511 < VR2_Dz(Z)		 32.14 27 55 56
26 Gassy D/Dtr09 < 4.2
et 0.983 < IC5 < 2.889
ou 0.925 < IC1 < 0.943
et 2.638 < SIC3 < 7.171		 31.81 21 47 40
27 Animal 3.7 < D/Dtr09 < 8.3
et X2v < 0.786
ou 13.075 < SIC1 < 13.33
et 20.0 < nAT < 52.0		 31.42 22 51 41
28 Banana
ou Brandy
et Fruity		 1.315 < BIC3 < 1.323
ou 0.252 < SM6_H2 < 0.26
et 125.471 < BAC < 153.471
et 0.127 < EE_Dt < 0.179		 30.9 17 40 32
29 Hay
ou Medicinal
et Fruity		 44.0 < X2Av < 114.0
et 0.333 < HDcpx < 0.352
ou 0.502 < SpMax_Dt < 0.526
et 3.6 < D/Dtr11 < 20.0		 30.68 27 60 55
30 Almond
ou Phenolic		 X% < 0.077
et 0.5 < S2K < 0.75
et 1.702 < IC3 < 3.391
et 0.816 < SpAD_A < 1.461		 30.3 20 48 38
31 Almond
ou Tobacco		 1.0 < nCsp2
et X4 < 2.944
et 6.013 < IC5 < 14.861
et 0.295 < SM4_H2 < 0.336		 30.13 22 57 38
32 Berry
ou Fatty		 1.245 < CID < 1.343
ou 0.093 < SM5_Dt < 0.128
et 0.188 < X% < 0.31
et 0.619 < SpPos_Dz(Z) < 1.406		 29.96 83 157 203
33 Apple 30.4 < D/Dtr07 < 31.4
et 0.048 < SM5_Dt < 0.077
ou 30.651 < SRW04 < 31.651
ou 0.691 < SM3_Dz(Z) < 0.696		 29.59 29 56 71
34 Buterry
ou Pineapple		 1.0 < ZM1MulPer < 2.0
et 9.061 < IC5 < 15.134
et 0.09 < EE_Dt < 0.161
et Chi_D/Dt < 0.667		 29.47 28 80 43
35 Honey 3.841 < SpPos_X < 3.862
ou 4.15 < SpMaxA_X < 4.706
et 9.507 < IC5 < 15.272
et 0.099 < VR1_H2 < 0.106		 28.0 21 56 40
36 Orange 8.769 < IDDE < 10.716
ou J_D/Dt = 39.192
et Rbrid < 25.0
et 2.7 < D/Dtr11 < 5.1		 25.75 17 32 51
37 Hyacinth 4.219 < J_X < 4.394
et Ho_X < 3.976
et 0.034 < SM5_Dt < 0.045
ou 6.743 < SpPos_H2 < 6.805		 25.6 21 31 72
38 Leafy 0.234 < SpMAD_Dt < 0.286
et 0.889 < SM5_Dz(Z) < 0.936
ou ZM2V = 2.0
ou 144.258 < SRW08 < 145.126		 24.6 31 64 93
39 Honey
ou Jasmin
ou Plum		 0.143 < VE2_H2 < 0.151
et 0.575 < SM5_Dz(Z) < 0.669
ou 2.123 < SpAD_A < 2.125
ou 0.714 < VE1_Dz(Z) < 0.76		 23.88 43 104 119
40 Apricot
ou Plum
ou Tobacco		 1.684 < IC1 < 1.822
et 10.301 < SM2_X < 10.975
et 0.032 < SM5_Dt < 0.075
ou 2.301 < IDDE < 2.413		 20.88 33 80 111

Qualités

Hay Apricot Banana Balsami Gree Balsamic Leafy Honey Lillac Plum Apple Fruity Waxy Woody Medicinal Jasmin Fatty Flora Ros Citrus Tarry Minty Pear Anisic Vanilin Almond Piney Pineapple Orange Gassy Lilly Musk Ethereal Brandy Fatt Ambre Tobacco Animal Floral Buterry Wood Earthy Wine Oil Green Phenolic Hyacinth Fruit Nut Oily Caramelic Etherea Berry Sour Camphor

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
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)
MW molecular weight Constitutional indices Basic descriptors
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)
SM3_Dt spectral moment of order 3 from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
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)
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
VE2_D average coefficient of the last eigenvector from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
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
BIC3 Bond Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
BIC1 Bond Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
nBnz number of benzene-like rings Ring descriptors Basic descriptors
Vindex Balaban V index Information indices Basic descriptors
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
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
X0sol solvation connectivity index of order 0 Connectivity indices Solvation connectivity indices
X4Av average valence connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
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
WiA_H2 average Wiener-like index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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))
nAT number of atoms Constitutional indices Basic descriptors
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
IC1 Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
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
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
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)
SRW08 self-returning walk count of order 8 Walk and path counts Self-returning walk counts
D/Dtr11 distance/detour ring index of order 11 Ring descriptors Basic descriptors
SpMaxA_H2 normalized leading eigenvalue from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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
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
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
VE2_H2 average coefficient of the last eigenvector from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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))
D/Dtr09 distance/detour ring index of order 9 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))
Chi_D/Dt Randic-like index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
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
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)
J_D Balaban-like index from topological distance matrix (Balaban distance connectivity index) 2D matrix-based descriptors Topological distance matrix (D)
Mp mean atomic polarizability (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)
Chi_X Randic-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
SM2_X spectral moment of order 2 from chi matrix 2D matrix-based descriptors Chi matrix (X)
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))
Rbrid ring bridge count Ring descriptors Basic descriptors
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