Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:12:23
  • 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 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 Berry
ou Ethereal
ou Fruity
ou Grape		 30.4 < D/Dtr07 < 32.0
ou 59.7 < SRW06 < 125.4
ou 3875.0 < RDSQ < 6613.0
ou 3.24 < WiA_Dz(Z) < 3.379		 74.93 1196 1239 1553
12 Floral
ou Jasmin
ou Mimosa
ou Orange-blossom		 nHet < 12.0
et 0.143 < VE2_H2 < 0.147
ou MAXDP < 26.324
ou 52.658 < SRW04 < 56.316		 74.89 1202 1262 1545
13 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
14 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
15 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
16 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
17 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
18 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
19 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
20 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
21 Minty 7.669 < VE2_D < 7.682
ou 5.016 < J_H2 < 5.109
et 7.899 < SIC1 < 11.002
ou IDDE = 2.297		 36.66 33 71 52
22 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
23 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
24 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
25 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
26 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
27 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
28 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
29 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
30 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
31 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

Qualités

Hay Balsami Gree Leafy Honey Lillac Plum Apple Waxy Orange-blossom Medicinal Jasmin Flora Ros Citrus Minty Vanilin Piney Pineapple Orange Gassy Lilly Musk Ethereal Fatt Animal Wood Wine Oil Grape Hyacinth Fruit Mimosa Caramelic Etherea Berry Sour Camphor

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)
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)
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)
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)
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)
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)
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))
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
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)
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
nHet number of heteroatoms Constitutional indices Basic descriptors
SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
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)
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)
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)
D/Dtr09 distance/detour ring index of order 9 Ring descriptors Basic descriptors
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))
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
SM4_H2 spectral moment of order 4 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
Mv mean atomic van der Waals volume (scaled on Carbon atom) Constitutional indices Basic descriptors
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)
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
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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