Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 09:41:22
  • 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 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
3 Fatty X% < 0.161
ou 8.416 < VR3_D < 8.547
ou 0.732 < SpMax_Dt
ou SM5_Dt < 0.071		 87.04 1397 1576 1426
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 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
8 Green ZM2V < 1.0
et 0.93 < SM5_Dz(Z) < 1.034
ou 0.242 < X%
ou 1.711 < IC1 < 1.744		 79.17 1270 1332 1542
9 Floral
ou Hyacinth
ou Jasmin
ou Lilly		 PCR < 10.0
et VR1_X < 2.484
et 0.479 < SM2_H2 < 0.484		 73.54 1173 1275 1493
10 Berry
ou Ethereal
ou Fruity
ou Grape		 X% < 0.308
et 1.687 < IC1 < 1.771		 71.64 1132 1239 1473
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 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
13 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
14 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
15 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
16 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
17 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
18 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
19 Anisic
ou Mossy		 3.906 < X0A < 6.576
et 980.0 < X4sol < 1902.0
et 0.479 < IC3 < 1.967
et 1.166 < VR1_X < 2.367		 36.17 17 41 23
20 Ethereal
ou Musk
ou Oily
ou Pear		 3.5 < MPC02
et 5.636 < IDET
et S0K < 0.561
et 0.484 < SM2_H2 < 0.569		 33.51 243 436 532
21 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
22 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
23 Creamy
ou Ethereal
ou Floral
ou Woody		 2.0 < N% < 4.0
et nR05 < 0.0
et 0.039 < SM3_Dt
et 0.242 < SM3_Dz(Z) < 0.955		 31.85 337 798 597
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 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
27 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
28 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
29 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
30 Medicinal 0.333 < HDcpx < 0.352
ou 4.447 < SpPos_X < 4.46
et 0.805 < IC1 < 1.94
et 1.574 < VE1_Dz(Z) < 1.894		 29.03 18 41 39
31 Balsamic
ou Green
ou Hay
ou Medicinal		 0.353 < S2K < 0.667
et 1.485 < X0sol
et 3.944 < J_X < 5.422
et 0.117 < VE2_H2 < 0.16		 28.22 230 548 497
32 Fruity
ou Honey
ou Lilly
ou Woody		 2.0 < N% < 13.0
et 0.85 < CID < 1.507
et 1.056 < VE2_D/Dt < 1.595
et 1.628 < VR2_Dz(Z) < 2.67		 28.04 283 810 482
33 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
34 Banana 1.315 < BIC3 < 1.323
ou 0.252 < SM6_H2 < 0.26
et 125.471 < BAC < 153.471
et 0.065 < SM3_Dt < 0.124		 27.86 17 30 48
35 Almond
ou Tarry		 X% < 0.1
et 0.545 < S2K
et 1.712 < IDDE < 3.326
et 2.757 < IC3 < 3.462		 26.15 17 46 36
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 Almond
ou Orange-blossom
ou Rose
ou Spicy		 0.037 < X% < 0.25
et 2.8 < D/Dtr11 < 13.0
et 7.0 < ZM1MulPer
et 1.6 < piPC06 < 2.108		 23.74 142 350 390
40 Nut 0.965 < MPC06 < 0.972
ou 2.264 < AVS_D/Dt < 2.611
et 129.83 < MWC05 < 158.942
et 5.293 < VR2_A < 5.541		 21.42 18 47 55
41 Almond
ou Animal
ou Hyacinth
ou Phenolic		 96.333 < BAC < 157.885
et 702.0 < RDSQ < 1424.0
et 0.456 < IC3 < 3.311
et SpMaxA_A < 10.0		 21.21 35 130 70
42 Jasmin 20.248 < IC5 < 21.434
ou 0.143 < VE2_H2 < 0.151
et 0.031 < SM5_Dt < 0.085
et 2.649 < VR1_D/Dt < 3.078		 20.73 17 29 70
43 Earthy
ou Ethereal
ou Vanilin
ou Woody		 IDET < 7.961
et 1.367 < IC1 < 1.675
et 0.544 < SpAD_A < 2.3
et VR1_X < 1.566		 20.17 114 461 218
44 Ambre
ou Peperry
ou Root		 6.246 < SpMaxA_D/Dt < 7.541
et 2.25 < WiA_Dz(Z) < 3.725
et 0.506 < SM5_Dz(Z) < 0.915
et 1.556 < VR2_Dz(Z) < 2.903		 20.16 24 64 79
45 Berry
ou Fatty		 1.245 < CID < 1.343
et 0.898 < X2v < 2.654
et 0.108 < VR1_H2 < 0.177
et 0.058 < SM5_Dt < 0.097		 19.82 45 157 115
46 Apricot
ou Pear
ou Plum
et Fruity		 4.0 < ZM1Mad < 8.0
et 4.201 < IVDE < 6.507
et 1.74 < IC1 < 1.859
et 0.48 < SM2_H2 < 0.539		 19.41 20 63 60
47 Apricot
ou Tobacco		 132.23 < SRW06 < 226.8
et 1.684 < IC1 < 1.822
et 10.301 < SM2_X < 10.975
et 0.032 < SM5_Dt < 0.075		 18.75 21 61 72
48 Berry
ou Coco
ou Peachy		 nBnz = 2.0
et MPC08 < 5.0
et 1.245 < CID < 1.343
et 1.622 < VR2_Dz(Z) < 1.955		 17.0 17 75 42

Qualités

Hay Apricot Banana Balsami Gree Balsamic Leafy Honey Plum Apple Fruity Waxy Woody Orange-blossom Medicinal Creamy Peachy Coco Jasmin Fatty Flora Rose Ros Citrus Tarry Minty Pear Anisic Vanilin Almond Piney Pineapple Orange Root Gassy Lilly Peperry Musk Ethereal Fatt Ambre Mossy Tobacco Animal Floral Buterry Wood Earthy Wine Oil Spicy Grape 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)
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)
ZM1Mad first Zagreb index by Madan vertex degrees Topological indices Vertex degree-based indices
X0A average connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
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
N% percentage of N atoms Constitutional 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)
PCR ratio of multiple path count over path coun Walk and path counts ID numbers
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)
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)
BIC3 Bond Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
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
nBnz number of benzene-like rings Ring descriptors Basic descriptors
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
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
MPC08 molecular path count of order 8 Walk and path counts Path counts
MPC06 molecular path count of order 6 Walk and path counts Path counts
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
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)
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
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
piPC06 molecular multiple path count of order 6 Walk and path counts Multiple path counts
MWC03 molecular walk count of order 3 Walk and path counts Walk counts
VR2_A normalized Randic-like eigenvector-based index from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
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)
ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices Vertex degree-based indices
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
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)
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
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)
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)
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)
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)
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)
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