Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 09:34:21
  • 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
ou Herbaceous
ou Waxy
ou Woody		 ZM2V < 0.0
et 7.0 < SpMaxA_A < 128.0
et 1.792 < VR2_L < 3.701
et 1.698 < SpPos_D/Dt < 3.281		 62.9 875 1022 1244
2 Fruity
ou Oily
ou Spicy
ou Woody		 1.0 < nHet < 8.0
et S2K < 0.625
et 1.584 < IC3 < 5.066
et 7.505 < CIC5 < 9.083		 57.46 793 980 1193
3 Fruity
ou Oily
ou Spicy
ou Woody		 1.0 < nHet < 8.0
et S2K < 0.625
et 1.584 < IC3 < 5.066
et 2.005 < TIC5 < 3.583		 57.46 793 980 1193
4 Fruity
ou Herbaceous
ou Vanilin
ou Waxy		 0.114 < X% < 0.314
et 0.075 < Vindex < 0.225
et 3.296 < SM6_X < 7.4
et 1.031 < VE2_D/Dt < 1.658		 56.8 693 894 1019
5 Citrus
ou Fruity
ou Leafy
ou Woody		 1.0 < nCsp2 < 3.0
et 2.0 < piPC02
et 2.574 < IDDE < 13.7
et 2.996 < SM6_X < 7.256		 56.36 691 861 1056
6 Fruity
ou Gassy
ou Herbaceous
ou Waxy		 0.19 < HDcpx < 0.302
et 0.075 < Vindex < 0.172
et 1.773 < TIC5 < 3.315
et 1.379 < SpAD_A < 3.447		 52.51 637 909 941
7 Fruity 0.202 < HDcpx < 0.224
ou 3.301 < IC3 < 4.862
et 2.9 < D/Dtr11 < 25.0
et 1.436 < SpAD_A < 3.041		 52.41 467 570 788
8 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
9 Citrus
ou Fruity
ou Spicy
ou Violet		 1.584 < IC3
et 1.436 < SpAD_A < 2.984
et 2.996 < SM6_X < 6.865
et 0.475 < SM2_H2 < 0.604		 51.04 562 747 916
10 Anisic
ou Fruity		 3.8 < D/Dtr11 < 25.0
et 121.471 < BAC
et 1.429 < SpAD_A < 3.041
et SpPos_X < 4.633		 50.72 454 597 752
11 Caramelic
ou Floral
ou Minty
ou Nut		 1.0 < nBnz < 4.0
et 0.033 < Yindex < 0.101
et 0.439 < SM2_H2 < 0.507
et 0.078 < VR1_H2 < 0.111		 45.43 463 629 853
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 Ethereal
ou Oily
ou Pear		 LPRS < 0.0
et 0.502 < SM2_H2
et 0.593 < SpMax_Dt < 1.135
et 0.918 < VR2_Dz(Z) < 2.718		 39.88 282 388 601
17 Camphor
ou Ethereal
ou Floral
ou Green		 1.707 < SpPos_H2 < 6.544
et 0.034 < SM5_Dt < 0.091
et 18.5 < J_D/Dt < 51.44
et 0.966 < VE2_D/Dt < 1.601		 39.38 460 904 724
18 Ethereal 0.631 < HyWi_Dt < 0.679
ou SpPosA_Dt < 0.252
et 0.052 < IC1 < 2.324
et VR1_X < 0.42		 39.33 83 144 150
19 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		 38.37 33 66 53
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 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
22 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
23 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		 34.93 131 223 283
24 Brandy
ou Lilly
ou Pineapple
et Fruity		 4.0 < N% < 8.0
et 80.911 < SRW08 < 131.69
et 0.8 < X2v < 1.292
et 1.697 < IC1 < 1.78		 34.48 30 66 51
25 Oily 1.6 < D/Dtr11 < 6.2
et 0.116 < VR1_H2 < 0.142
ou 8.748 < IVDE < 9.014
ou 0.629 < VR1_X < 0.705		 33.97 124 232 257
26 Berry
ou Herbaceous
ou Musk
ou Vanilin		 S2K < 0.632
et 0.678 < IC1 < 2.859
et 9.648 < SpPosLog_D < 12.09
et 4.972 < SpAD_D/Dt < 9.377		 33.88 327 468 824
27 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
28 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
29 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		 31.93 61 113 139
30 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
31 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
32 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
33 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		 30.84 95 176 227
34 Balsamic 8.0 < ZM1MulPer
ou 27.134 < TIC1 < 28.298
et 2.236 < piPC02 < 3.674
et 29.5 < TIC3		 30.76 68 152 137
35 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
36 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
37 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
38 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
39 Almond
ou Lillac
ou Medicinal
ou Tobacco		 0.826 < IDET < 1.844
et 2.829 < IC5
et 2.0 < SpMaxA_A < 14.0
et 2.008 < WiA_Dt < 3.675		 28.08 50 114 114
40 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
41 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
42 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
43 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
44 Winey 3.622 < IC3 < 4.418
et 0.357 < SM4_H2 < 0.373
ou 17.6 < D/Dtr11 < 21.4
et 0.537 < SpMax_Dt < 0.699		 25.68 56 114 160
45 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
46 Spicy 1.732 < piPC02 < 2.345
et 3.081 < X4 < 3.733
ou 18.692 < PW5 < 22.607
ou 783.0 < IAC < 788.0		 24.78 58 133 159
47 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
48 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
49 Buterry
ou Gassy		 2.0 < ZM1MulPer < 3.0
et 0.964 < H_Dt < 3.573
et 0.185 < SpMAD_Dt < 0.276
et 1.868 < VE1_Dz(Z) < 3.971		 22.82 21 75 38
50 Almond
ou Honey		 27.667 < TIC3 < 40.0
et SpMaxA_A < 10.0
et SpMaxA_X < 5.154
et 0.457 < SM2_H2 < 0.487		 22.72 25 80 55
51 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
52 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
53 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
54 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
55 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
56 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
57 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
58 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 Violet Balsamic Leafy Honey Lillac Plum Apple Waxy Fruity Woody Orange-blossom Medicinal Creamy Peachy Coco Jasmin Fatty Rose Citrus Tarry Minty Pear Anisic Vanilin Almond Piney Pineapple Orange Root Gassy Lilly Peperry Musk Ethereal Brandy Winey Ambre Mossy Tobacco Animal Floral Buterry Earthy Spicy Green Phenolic Hyacinth Nut Oily Caramelic Herbaceous 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
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
X0A average connectivity index of order 0 Connectivity indices Kier-Hall molecular 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)
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))
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)
H_Dt Harary-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
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
CIC5 Complementary Information Content index (neighborhood symmetry of 5-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
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
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
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
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))
VR2_L normalized Randic-like eigenvector-based index from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
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
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
VR2_A normalized Randic-like eigenvector-based index from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
SpPos_D/Dt spectral positive sum from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
nHet number of heteroatoms Constitutional indices Basic descriptors
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
piPC02 molecular multiple path count of order 2 Walk and path counts Multiple path counts
SpPosA_Dt normalized spectral positive sum from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
D/Dtr11 distance/detour ring index of order 11 Ring descriptors Basic descriptors
SRW08 self-returning walk count of order 8 Walk and path counts Self-returning walk counts
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)
LPRS log of product of row sums (PRS) Topological indices Distance-based indices
SpMaxA_X normalized leading eigenvalue from chi matrix 2D matrix-based descriptors Chi matrix (X)
SIC3 Structural Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
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))
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
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)
IAC total information index on atomic composition Information indices Basic descriptors
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
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)
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)
VR1_D/Dt Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
Mp mean atomic polarizability (scaled on Carbon atom) Constitutional indices Basic descriptors
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