Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 02 nov. 2014 19:12:40
  • 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 Fruity X% < 0.107
ou 257.55 < MWC03 < 264.94
ou 12.019 < piPC04 < 13.693
ou 1.687 < IC1 < 1.899
ou 0.682 < SM5_Dz(Z) < 0.786		 72.63 1043 1119 1360
2 Floral 4.546 < IC5 < 5.315
ou 1.178 < VR1_X < 3.312
ou 0.163 < SM6_H2 < 0.185
ou 2.357 < VR1_D/Dt < 2.406
ou 1.459 < WiA_Dz(Z) < 1.971		 69.22 994 1213 1217
3 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
et 5.815 < SIC3 < 12.964		 55.55 30 52 32
4 Vanilin 19.403 < Mv < 19.516
ou 1.267 < VE2_X < 1.292
et 1.511 < IC3 < 3.461
ou VR3_X = 3.342
et 10.0 < D/Dtr11		 54.54 18 26 25
5 Green SM2_H2 < 0.484
et HyWi_Dt < 5.881
ou IDDE < 2.219
ou 20.27 < IC5
ou 55.183 < J_D/Dt		 52.43 753 1332 857
6 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 0.039 < SM3_Dt < 0.124		 49.29 35 52 54
7 Piney 3.1 < D/Dtr11
et 1.372 < IC1 < 1.846
et 1.792 < SpPos_Dz(Z) < 1.924
ou Wi_D = 6.845
et 1.099 < SM3_L < 4.094		 47.36 18 29 27
8 Waxy 1.8 < D/Dtr11 < 5.3
et 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		 42.69 38 63 64
9 Camphor 0.571 < GNar < 0.8
ou 4.117 < BIC1 < 4.156
ou 1.343 < SM5_Dz(Z) < 1.531
et VE2_D/Dt < 1.188
ou 48.0 < MWC01 < 48.104		 42.04 37 66 59
10 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
et 0.13 < VR1_X < 0.483		 41.46 17 25 33
11 Ethereal 0.631 < HyWi_Dt < 0.679
ou SpPosA_Dt < 0.252
et 0.052 < IC1 < 2.324
et VR1_X < 0.42
ou 14.5 < TIC3 < 14.833		 40.84 87 144 156
12 Minty 7.669 < VE2_D < 7.682
ou 5.016 < VE3_Dt < 5.109
et 7.899 < SIC1 < 11.002
ou 90.465 < SRW02 < 90.636
ou IDDE = 2.297		 40.65 37 71 57
13 Buterry 172.75 < MWC03 < 174.75
ou 4.816 < BIC1 < 4.835
ou Chi_D/Dt < 0.667
et 1.747 < IC1 < 2.324
et 10.938 < IC5 < 20.747		 38.63 17 28 33
14 Gassy D/Dtr09 < 4.2
et 0.983 < IC5 < 2.889
ou 0.925 < IC1 < 0.943
et 2.638 < SIC3 < 7.171
ou 0.91 < IVDE < 0.942		 36.36 24 47 43
15 Woody 0.569 < S0K < 0.655
et 0.484 < IC1 < 1.992
et 1.099 < SpPosLog_X < 5.557
ou 64.997 < SRW04 < 65.322
ou 1.65 < SpPos_Dz(Z) < 1.7		 36.22 138 223 296
16 Citrus 0.241 < EE_Dt < 0.247
ou 46.85 < SpPosLog_D/Dt < 47.528
et 1.683 < TIC5 < 2.208
ou BIC1 = 5.982
ou 6.772 < VE2_D < 6.774		 36.08 35 78 54
17 Rose 1.479 < X2v < 2.245
et 0.147 < VE2_H2 < 0.179
ou 2.403 < IC3 < 2.645
ou 3.779 < H_Dz(Z) < 3.783
et 1.893 < TIC5 < 2.417		 35.84 95 176 184
18 Caramelic 14.778 < Sp < 14.923
ou ON0V = 5.0
ou X4Av = 8.0
et 2.511 < VR2_Dz(Z)
ou MWC09 = 220.0		 35.71 30 55 59
19 Oily 33.322 < SRW04 < 36.993
ou 7.97 < IVDE
et 0.103 < SM3_Dt
ou 1.151 < CID < 1.155
ou 1.004 < IC1 < 1.056		 35.62 140 232 301
20 Anisic 0.479 < IC3 < 1.967
et 1.166 < VR1_X < 2.367
ou 3.994 < WiA_Dt < 4.009
et 49.867 < MWC01 < 67.307
et 118.659 < MWC05 < 178.941		 35.41 17 30 35
21 Medicinal 0.333 < HDcpx < 0.352
ou 4.447 < SpPos_X < 4.46
ou 2.703 < VR2_Dz(Z) < 2.707
et 3.761 < Chi_X < 4.355
et 1.574 < VE1_Dz(Z) < 1.945		 35.0 21 41 40
22 Phenolic 0.5 < S2K < 0.75
et 1.702 < IC3 < 3.391
et 0.816 < SpAD_A < 1.461
et 0.454 < SM2_H2 < 0.483
et 0.312 < SM4_H2		 34.69 17 24 42
23 Animal 3.7 < D/Dtr09 < 8.3
et X2v < 0.786
ou 13.075 < SIC1 < 13.33
et 20.0 < nAT < 52.0
ou 0.523 < X0sol < 0.65		 34.24 25 51 47
24 Fatty 0.221 < HDcpx < 0.224
ou 0.093 < SM5_Dt < 0.128
et 1.535 < piPC06 < 1.733
ou 13.75 < X0v < 16.792
et 0.598 < SpMax_Dt < 0.713		 33.95 55 113 104
25 Apple 30.4 < D/Dtr07 < 31.4
et 1.48 < IC1 < 1.757
et 0.048 < SM5_Dt < 0.077
ou 30.651 < SRW04 < 31.651
ou 0.691 < SM3_Dz(Z) < 0.696		 33.73 28 56 55
26 Tobacco X4 < 2.944
et 0.295 < SM4_H2 < 0.336
ou 86.668 < SpPosLog_D/Dt < 87.209
et 1.0 < nCsp2 < 3.0
et 8.092 < IC5 < 15.164		 33.33 17 33 35
27 Balsamic 8.0 < ZM1MulPer
ou 27.134 < TIC1 < 28.298
et 2.236 < piPC02 < 3.674
et 29.5 < TIC3
ou 106.0 < BAC < 106.15		 33.18 75 152 149
28 Orange 8.769 < IDDE < 10.716
ou SM4_H2 = 0.395
ou J_D/Dt = 39.192
et Rbrid < 25.0
et 2.7 < D/Dtr11 < 4.5		 32.69 17 32 37
29 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
ou 14.958 < Chi_H2 < 15.079		 32.46 25 56 46
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
et 0.27 < HDcpx < 0.322		 31.14 19 31 49
31 Banana 1.315 < BIC3 < 1.323
ou 0.252 < SM6_H2 < 0.26
et 125.471 < BAC < 153.471
et 0.171 < VE2_H2
et 0.065 < SM3_Dt < 0.124		 30.9 17 30 42
32 Jasmin 20.248 < IC5 < 21.434
ou 0.143 < VE2_H2 < 0.151
et 2.649 < VR1_D/Dt < 3.078
ou 0.169 < Vindex < 0.17
et 1.252 < HyWi_Dt < 2.53		 30.35 17 29 44
33 Spicy 3.081 < X4 < 3.733
ou 4.863 < J_X < 4.934
et 37.0 < D/Dtr07 < 52.9
et 1.589 < IC3 < 3.482
ou 36.577 < Psi_i_1 < 48.65		 28.2 55 133 117
34 Winey 6.375 < IDET < 6.636
ou 0.357 < SM4_H2 < 0.373
et 3.622 < IC3 < 4.418
ou 18.5 < D/Dtr11 < 21.4
et 1.922 < WiA_Dz(Z) < 3.547		 28.14 56 114 141
35 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
et 0.958 < CID < 1.321		 27.77 30 64 74
36 Nut 0.965 < MPC06 < 0.972
ou 2.264 < AVS_D/Dt < 2.611
ou 2.112 < VR2_Dz(Z) < 2.117
et 1.42 < IC1 < 1.707
ou 36.541 < J_D/Dt < 36.627		 25.88 22 47 60
37 Berry 1.245 < CID < 1.343
ou 59.807 < SpPosLog_D/Dt < 60.907
et 117.258 < MWC05 < 178.786
et 0.652 < HyWi_Dt < 1.284
et 1.241 < SpPos_Dz(Z) < 1.539		 22.36 17 44 49
38 Earthy 44.8 < D/Dtr07 < 46.9
ou 1.367 < IC1 < 1.675
et IC3 < 3.368
et 0.184 < SpMAD_Dt < 0.295
ou 4.112 < SM2_D/Dt < 4.14		 22.29 33 83 98
39 Ambre 48.792 < Psi_i_1d < 86.601
ou 6.246 < SpMaxA_D/Dt < 7.541
et 2.25 < WiA_Dz(Z) < 3.617
ou 54.753 < X2 < 54.958
et 0.254 < HDcpx < 0.397		 22.09 19 37 68
40 Orange-blossom 7.0 < ZM1MulPer
et 4.247 < Chi_X < 5.303
ou 8.386 < J_D < 8.4
et 3.2 < D/Dtr11 < 6.1
et 0.944 < SpPos_Dz(Z) < 1.682		 20.73 17 25 74
41 Hay 0.353 < S2K < 0.667
ou 1.894 < Wi_D/Dt < 1.997
et 127.736 < BAC < 253.471
et 1.589 < IC3 < 3.938
et 0.629 < SpAD_A < 1.317		 20.73 17 22 77
42 Tarry 0.025 < X% < 0.032
ou 0.545 < S2K
et N% < 1.0
et PW5 < 14.015
et -0.024 < CIC1 < 0.13		 18.68 17 22 86
43 Almond 12.186 < Sp < 12.349
ou SpMaxA_A < 10.0
et 0.296 < HDcpx < 0.332
ou 6.216 < Sv < 6.259
et 1.715 < IC3 < 3.794		 18.68 17 24 84
44 Pear 5.636 < IDET
et 0.673 < SpMax_Dt
ou 1.511 < Chi_D/Dt < 1.534
et 5.509 < Sv < 7.209
et 3.8 < D/Dtr11		 18.27 17 23 87
45 Apricot 1.684 < IC1 < 1.822
et 0.978 < SpPos_Dz(Z) < 1.384
ou VE2_X = 1.033
et 0.107 < X% < 0.256
et Ho_X < 3.841		 17.17 17 28 88
46 Apricot 1.684 < IC1 < 1.822
et Ho_X < 3.841
et 0.978 < SpPos_Dz(Z) < 1.384
ou VE2_X = 1.033
et 0.107 < X% < 0.256		 17.17 17 28 88
47 Creamy MW = 184.31
ou 2.0 < N% < 4.0
ou 917.0 < IAC < 987.0
et 114.0 < SRW02 < 205.636
et 1.39 < IC1 < 1.802		 10.89 17 28 145
48 Lilly 38.357 < TIC1 < 43.296
ou 1.628 < VR2_Dz(Z) < 2.67
et 1.642 < piPC08 < 1.919
et 3.97 < IDET < 15.636
et 1.095 < HyWi_Dt < 2.642		 10.82 17 25 149
49 Peachy nBnz = 2.0
et 1.375 < MPC06 < 3.667
et MPC08 < 5.0
et 0.052 < Yindex < 0.078
et 0.509 < SM5_Dz(Z) < 1.048		 10.62 17 19 158
50 Brandy 2.0 < nR03
et 0.75 < X2A
et 0.494 < S0K
et Yindex < 0.06
et SpAD_X < 2.89		 5.01 17 18 338
51 Plum nCsp2 < 2.0
et D/Dtr11 < 10.0
et 4.0 < ZM1Mad < 8.0
et SpAD_A < 2.47
et 0.693 < SpMAD_L < 3.091		 4.42 17 19 382

Qualités

Hay Apricot Banana Gree Balsamic Leafy Honey Plum Apple Waxy Woody Orange-blossom Medicinal Creamy Peachy Jasmin Fatty Flora Rose Citrus Tarry Minty Pear Anisic Vanilin Almond Piney Pineapple Orange Gassy Lilly Musk Ethereal Brandy Winey Ambre Tobacco Animal Buterry Earthy Spicy Phenolic Hyacinth Fruit Nut Oily Caramelic 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
PW5 path/walk 5 - Randic shape index Topological indices Path/walk 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
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)
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
H_Dz(Z) Harary-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
nR03 number of 3-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
SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
Vindex Balaban V index Information indices Basic descriptors
CIC1 Complementary Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
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
Psi_i_1 intrinsic state pseudoconnectivity index - type 1 Topological indices E-state indices
MPC06 molecular path count of order 6 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
X2 connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
VR3_X logarithmic Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors Chi matrix (X)
X0sol solvation connectivity index of order 0 Connectivity indices Solvation connectivity indices
SpAD_X spectral absolute deviation from chi matrix 2D matrix-based descriptors Chi matrix (X)
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
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
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
piPC08 molecular multiple path count of order 8 Walk and path counts Multiple path counts
MWC05 molecular walk count of order 5 Walk and path counts Walk counts
Wi_D/Dt Wiener-like index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
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
piPC04 molecular multiple path count of order 4 Walk and path counts Multiple path counts
MWC01 molecular walk count of order 1 Walk and path counts Walk counts
SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
Psi_i_1d intrinsic state pseudoconnectivity index - type 1d Topological indices E-state indices
SM2_D/Dt spectral moment of order 2 from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
piPC02 molecular multiple path count of order 2 Walk and path counts Multiple path counts
ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices Vertex degree-based indices
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
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
HyWi_Dt hyper-Wiener-like index (log function) from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
Chi_H2 Randic-like index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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
TIC3 Total Information Content index (neighborhood symmetry of 3-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)
TIC1 Total Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
X2A average connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
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)
IAC total information index on atomic composition Information indices 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))
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
X0v valence connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
WiA_Dt average Wiener-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
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)
J_D Balaban-like index from topological distance matrix (Balaban distance connectivity index) 2D matrix-based descriptors Topological distance matrix (D)
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)
Chi_X Randic-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpMAD_L spectral mean absolute deviation from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
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))
SM3_L spectral moment of order 3 from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
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