Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 03 nov. 2014 09:25:24
  • 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 Fatty X% < 0.161
ou 130.15 < BAC < 133.569
ou 179.32 < MWC03 < 180.88
ou 103.091 < SRW02 < 104.667
ou 105.32 < SRW06 < 112.74
ou 59.287 < SRW08 < 61.985
ou 1.667 < MPC06 < 1.708
ou 2.35 < X2v < 2.404
ou 1412.0 < RDSQ < 1458.0
ou 7.363 < IDET < 7.6
ou 4.12 < IC3 < 4.165
ou 7.003 < IC5 < 7.218
ou 1.794 < TIC5 < 1.858
ou 1.318 < BIC3 < 1.325
ou 8.416 < VR3_D < 8.547
ou 0.363 < VR1_X < 0.448
ou 2.658 < WiA_H2 < 2.722
ou 2.491 < H_Dt < 2.652
ou 1.133 < HyWi_Dt < 1.223
ou 0.828 < SpPosA_Dt < 0.855
ou 0.732 < SpMax_Dt
ou 0.123 < SM3_Dt < 0.125
ou SM5_Dt < 0.071
ou 5.345 < Ho_D/Dt < 5.715
ou 3.087 < VR1_D/Dt < 3.096
ou 2.222 < SpAD_Dz(Z) < 2.379
97.07 1558 1576 1587
2 Winey 201.74 < MWC03 < 204.02
ou 137.969 < MWC05 < 138.055
ou 59.651 < SRW04 < 62.638
ou 99.96 < SRW06 < 112.74
ou 53.922 < SRW08 < 72.392
ou 2.639 < MPC06 < 2.75
ou 50.514 < X2 < 50.884
ou 218.0 < X4A < 238.0
ou 14.875 < X4v < 15.219
ou 55.0 < X0Av < 57.0
ou 818.0 < X4sol < 854.0
ou 0.224 < HDcpx < 0.232
ou 0.111 < Vindex < 0.113
ou 0.036 < Yindex < 0.037
ou IC1 < 1.133
ou 5.312 < IC5 < 6.618
ou 38.151 < TIC1 < 39.846
ou 2.521 < TIC5 < 2.528
ou 6.3 < SIC3 < 6.503
ou 1.359 < BIC3 < 1.427
ou 1.128 < VE2_X
ou SM2_H2 < 0.502
ou SM6_H2 = 0.237
ou 1.094 < H_Dt < 1.441
ou 1.714 < ChiA_Dt < 1.745
ou 0.743 < SpPosA_Dt < 0.766
ou 0.062 < SM5_Dt < 0.064
ou 27.791 < SpPosLog_D/Dt < 37.411
ou 5.101 < SpAD_D/Dt < 5.121
ou 8.181 < SM2_D/Dt
ou 0.734 < SM3_Dz(Z) < 0.756
96.94 1556 1575 1586
3 Ethereal 19.224 < Sp
ou nR05 = 1.0
ou 46.2 < MWC03 < 55.52
ou 36.727 < SRW02 < 41.273
ou 23.661 < SRW04 < 24.433
ou 4.95 < MPC02 < 5.367
ou MPC04 = 1.778
ou 1.639 < MPC06 < 1.729
ou 668.0 < X4sol < 734.0
ou 7.377 < IDE < 7.416
ou 2.337 < IC1 < 2.6
ou 4.81 < IC5 < 5.042
ou 18.482 < TIC1 < 20.087
ou 1.021 < BIC3 < 1.028
ou 0.483 < VR1_X < 0.52
ou 0.464 < SM2_H2 < 0.49
ou 0.1 < VR1_H2 < 0.106
ou SpMax_Dt < 0.558
ou 3.55 < SM2_D/Dt < 3.59
ou SM3_Dz(Z) < 0.677
et 36.97 < MWC05
ou 60.04 < SRW06 < 62.52
ou 0.687 < SpAD_H2 < 0.713
96.19 1544 1545 1604
4 Balsamic 4.0 < nHet < 6.0
ou 1.0 < NRS
ou 2.8 < D/Dtr11 < 3.2
ou 281.55 < MWC03 < 289.0
ou 205.091 < SRW02 < 213.0
ou 260.58 < SRW06 < 268.92
ou 2.582 < X4 < 3.089
ou 6.094 < X4v < 6.167
ou 3634.0 < X4sol < 3937.0
ou 186.0 < X1MulPer < 196.0
ou 0.175 < Vindex < 0.177
ou 0.479 < IC3 < 1.729
ou 13.031 < IC5 < 13.525
ou 11.901 < TIC1 < 12.897
ou 4.802 < BIC1 < 5.097
ou 1.669 < BIC3 < 1.766
ou SpPosLog_X < 4.302
ou 3.862 < SpMaxA_X < 4.217
ou 3.281 < VR3_X < 3.341
ou 12.042 < VR3_H2 < 13.101
ou 3.612 < H_Dt < 3.723
ou 83.172 < SpPosLog_D/Dt < 87.107
95.32 1530 1537 1598
5 Rose X0v < 7.923
et X2v < 1.476
ou 230.33 < MW < 238.36
ou nAT = 40.0
ou 220.0 < Psi_e_1d < 236.0
ou 137.885 < BAC < 143.736
ou 65.439 < MWC01 < 65.735
ou 54.987 < SRW04 < 55.322
ou 232.56 < SRW06 < 234.8
ou 181.136 < SRW08 < 197.171
ou 1.801 < piPC08 < 1.813
ou 1.441 < CID < 1.498
ou 5.148 < X4 < 5.222
ou 1888.0 < X2sol < 1941.0
ou 4740.0 < X4sol < 5112.0
ou 2.014 < IC1 < 2.071
ou 1.703 < BIC3 < 1.804
ou 62.0 < SpMaxA_A
ou 1.15 < HyWi_Dt < 1.194
ou 1.242 < SpPosA_Dt
ou 62.311 < SpPosLog_D/Dt < 63.786
ou 7.081 < SpAD_D/Dt < 7.086
ou 3.047 < SpAD_Dz(Z) < 3.122
ou 1.562 < Ho_Dz(Z) < 1.573
93.27 1497 1513 1589
6 Woody 35.1 < D/Dtr07 < 35.5
ou 122.632 < MWC05 < 130.038
ou 130.2 < SRW06 < 132.8
ou MPC10 = 32.0
ou 7.353 < X0v < 7.941
ou 769.0 < X2sol < 816.0
ou 3.872 < IDDE < 4.031
ou 0.152 < Vindex < 0.156
ou 2.001 < IC1 < 3.505
ou 34.0 < TIC3 < 35.417
ou 7.836 < SIC3 < 7.928
ou 2.157 < ChiA_Dt < 2.235
ou 0.283 < SpMAD_Dt < 0.29
ou SpPos_Dz(Z) < 1.661
ou 1.996 < VE1_Dz(Z) < 2.126
90.96 1460 1466 1599
7 Oily 0.212 < X% < 0.234
ou 128.0 < MWC09 < 130.0
ou 1.202 < CID < 1.219
ou 1668.0 < X4sol < 2071.0
ou IDDE < 9.999
ou 2.891 < IC3 < 3.235
ou 12.969 < IC5 < 13.065
ou 63.139 < TIC1 < 66.259
ou 5.226 < BIC1 < 5.228
ou 1.973 < BIC3 < 1.992
ou 9.594 < SpPosLog_D < 9.625
ou 0.492 < SM2_H2 < 0.501
ou 3.276 < H_Dt < 3.452
ou 0.145 < SM3_Dt < 0.146
ou 5.61 < Ho_D/Dt < 5.687
89.9 1443 1457 1591
8 Earthy
ou Green
6.153 < IVDE < 8.453
ou 42.102 < TIC1 < 57.314
et ZM2V < 1.0
ou 249.207 < BAC
ou 122.461 < MWC05 < 132.357
ou 0.063 < Yindex < 0.067
ou 6.547 < Wi_D < 6.635
et HyWi_Dt < 5.881
ou 147.1 < SRW06 < 147.84
ou 8.8 < X0v < 9.25
ou 484.0 < X4sol < 701.0
ou 0.198 < IC3 < 1.061
ou 7.003 < SIC3 < 7.271
ou 1.792 < SpPos_X < 1.946
ou 4.5 < SM6_X < 4.511
ou 1.852 < ChiA_Dt < 1.946
ou 1.02 < SpPosA_Dt < 1.088
ou 0.098 < EE_Dt < 0.104
et SpMax_Dt < 0.977
ou 81.065 < MWC01 < 81.971
85.58 1371 1373 1600
9 Green
ou Hyacinth
ZM2V < 1.0
et 0.93 < SM5_Dz(Z) < 1.034
ou 5.632 < Sv < 5.661
ou 0.242 < X%
ou 147.5 < MWC03 < 150.69
ou 5.838 < IDET < 6.014
ou 1.711 < IC1 < 1.744
ou 5.914 < SIC3 < 5.937
ou 0.341 < SM4_H2 < 0.346
ou VE2_D/Dt < 1.075
et CID < 3.149
ou 85.169 < MWC05 < 86.755
ou 573.0 < X4sol < 588.0
ou 5.848 < IC5 < 6.051
ou 6.297 < SpAD_D/Dt < 6.304
et HyWi_Dt < 5.881
ou 75.0 < X4A < 76.0
83.95 1345 1349 1598
10 Floral
ou Jasmin
6.409 < Sv < 6.478
ou 43.4 < D/Dtr07 < 44.4
ou 132.0 < MWC09 < 144.0
ou 279.63 < SRW06 < 284.43
ou 4.789 < X4 < 5.012
ou 1232.0 < XMOD < 1435.0
ou SM3_L < 1.386
ou 0.204 < SM6_H2 < 0.214
ou 1.471 < VE2_D/Dt < 1.532
et SpPos_X < 6.067
ou 3.635 < IDDE < 3.859
ou 4.353 < J_X < 4.406
ou 5.363 < SpMaxA_D/Dt < 5.437
et MAXDP < 165.741
et VR1_X < 2.484
ou 6.656 < SpAD_X < 7.157
ou 3.531 < SpPosLog_H2 < 3.553
77.61 1238 1239 1594
11 Floral
ou Jasmin
6.409 < Sv < 6.478
ou 43.4 < D/Dtr07 < 44.4
ou 132.0 < MWC09 < 144.0
ou 279.63 < SRW06 < 284.43
ou 4.789 < X4 < 5.012
ou 1232.0 < XMOD < 1435.0
ou SM3_L < 1.386
ou 0.204 < SM6_H2 < 0.214
ou 1.471 < VE2_D/Dt < 1.532
et SpPos_X < 6.067
ou 3.635 < IDDE < 3.859
ou 4.353 < J_X < 4.406
ou 3.531 < SpPosLog_H2 < 3.553
ou 5.363 < SpMaxA_D/Dt < 5.437
et MAXDP < 165.741
et VR1_X < 2.484
ou 6.656 < SpAD_X < 7.157
77.61 1238 1239 1594
12 Ethereal
ou Fruity
IDDE < 5.814
ou 1.687 < IC1 < 1.771
ou 5.574 < BIC1 < 5.599
ou 7.385 < Chi_D < 7.408
ou 2.036 < HyWi_Dt < 3.223
ou 2.037 < VR2_Dz(Z) < 2.251
et X% < 0.308
ou 1.465 < ChiA_Dt < 1.525
et PHI < 19.858
ou 2.942 < IVDE < 3.342
ou 2.747 < SpPosLog_H2 < 2.832
ou SM5_Dt = 0.06
75.0 1188 1192 1580
13 Ethereal
ou Fruity
IDDE < 5.814
ou 1.687 < IC1 < 1.771
ou 5.574 < BIC1 < 5.599
ou 7.385 < Chi_D < 7.408
ou 2.036 < HyWi_Dt < 3.223
ou 2.037 < VR2_Dz(Z) < 2.251
et X% < 0.308
ou 1.465 < ChiA_Dt < 1.525
ou SM5_Dt = 0.06
et PHI < 19.858
ou 2.942 < IVDE < 3.342
ou 2.747 < SpPosLog_H2 < 2.832
75.0 1188 1192 1580
14 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 4.699 < X0A < 8.441
et 0.039 < SM3_Dt < 0.124
et 1.931 < VR2_Dz(Z)
ou VE2_D = 7.336
ou Ho_D/Dt = 3.678
et 5.371 < Wi_D < 6.425
64.91 37 52 42
15 Musk 0.208 < X2v < 0.975
et 7.823 < SpAD_D/Dt < 8.877
ou 130.0 < SRW02 < 130.545
et 5.815 < SIC3 < 12.964
ou 13.0 < ON0V < 14.0
et 11.597 < IDE
ou IDET = 4.621
et 22.559 < TIC1
62.26 33 52 34
16 Camphor 1.333 < Dz < 1.667
et 4.453 < H_Dt < 6.994
ou 48.0 < MWC01 < 48.104
ou 85.007 < MWC05 < 85.163
ou 1.343 < SM5_Dz(Z) < 1.531
et VE2_D/Dt < 1.188
ou 529.0 < X4sol < 545.0
ou VE1_Dz(Z) = 1.997
et X% < 0.171
ou VE1_Dt = 11.475
et 0.722 < WiA_Dz(Z) < 3.457
60.27 44 66 51
17 Waxy 0.103 < Vindex < 0.121
et 2.423 < IC3 < 3.482
et 0.105 < SM5_Dt < 0.126
ou MW = 184.36
ou 0.21 < EE_Dt < 0.211
et 4.76 < Sv < 5.32
ou 1.192 < VE2_X < 1.194
et 0.114 < X% < 0.296
et 2.197 < AVS_X < 3.801
51.47 35 63 40
18 Waxy 0.103 < Vindex < 0.121
et 2.423 < IC3 < 3.482
et 0.105 < SM5_Dt < 0.126
ou 0.21 < EE_Dt < 0.211
et 4.76 < Sv < 5.32
ou Sp = 19.036
ou 1.192 < VE2_X < 1.194
et 0.114 < X% < 0.296
et 2.197 < AVS_X < 3.801
51.47 35 63 40
19 Waxy 0.103 < Vindex < 0.121
et 2.423 < IC3 < 3.482
et 0.105 < SM5_Dt < 0.126
ou MW = 184.36
ou 0.21 < EE_Dt < 0.211
et 4.76 < Sv < 5.32
et 0.167 < X% < 0.296
ou 1.192 < VE2_X < 1.194
et 2.197 < AVS_X < 3.801
51.47 35 63 40
20 Minty 7.899 < SIC1 < 8.521
et 5.016 < VE3_Dt < 5.109
ou 90.465 < SRW02 < 90.636
ou SRW04 = 77.983
ou IDDE = 2.297
ou 1.572 < IVDE < 1.609
ou 9.342 < VR3_D < 9.35
et ZM1MulPer < 5.0
et HDcpx < 0.392
51.28 40 71 47
21 Minty 7.899 < SIC1 < 8.521
et 5.016 < J_H2 < 5.109
ou 90.465 < SRW02 < 90.636
ou SRW04 = 77.983
ou IDDE = 2.297
ou 1.572 < IVDE < 1.609
ou 9.342 < VR3_D < 9.35
et ZM1MulPer < 5.0
et HDcpx < 0.392
51.28 40 71 47
22 Minty 7.899 < SIC1 < 8.521
et 30.672 < J_D/Dt < 31.232
ou 90.465 < SRW02 < 90.636
ou SRW04 = 77.983
ou IDDE = 2.297
ou 1.572 < IVDE < 1.609
ou 9.342 < VR3_D < 9.35
et ZM1MulPer < 5.0
et HDcpx < 0.392
51.28 40 71 47

Qualités

Ethereal Wine Pineapple Earthy Flora Etherea Ros Gree Minty Waxy Jasmin Camphor Wood Hyacinth Musk Balsami Oil Fatt Fruit

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)
BAC Balaban centric index Topological indices Centric indices
SpPos_X spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpMax_Dt leading eigenvalue from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
VE1_Dt coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
MW molecular weight Constitutional indices Basic descriptors
VE3_Dt logarithmic coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
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
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)
X4v valence connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
Ho_D/Dt Hosoya-like index (log function) from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
Wi_D Wiener-like index from topological distance matrix (Wiener index) 2D matrix-based descriptors Topological distance matrix (D)
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))
MPC10 molecular path count of order 10 Walk and path counts Path counts
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
SpAD_H2 spectral absolute deviation from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
BIC1 Bond Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
IDE mean information content on the distance equality Information indices 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
Dz Pogliani index Topological indices Vertex degree-based indices
VR3_H2 logarithmic Randic-like eigenvector-based index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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
MPC06 molecular path count of order 6 Walk and path counts Path counts
MPC04 molecular path count of order 4 Walk and path counts Path counts
PHI Kier flexibility index Topological indices Path/walk indices
SpPosLog_D logarithmic spectral positive sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
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
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)
X4A average connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
SpAD_X spectral absolute deviation from chi matrix 2D matrix-based descriptors Chi matrix (X)
X2v valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
SpPosLog_H2 logarithmic spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
ChiA_Dt average Randic-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
AVS_X average vertex sum 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)
Psi_e_1d electrotopological state pseudoconnectivity index - type 1d Topological indices E-state indices
X% percentage of halogen atoms Constitutional indices Basic descriptors
X2sol solvation connectivity index of order 2 Connectivity indices Solvation connectivity indices
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
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
X4sol solvation connectivity index of order 4 Connectivity indices Solvation connectivity indices
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
MWC03 molecular walk count of order 3 Walk and path counts Walk counts
MWC01 molecular walk count of order 1 Walk and path counts Walk counts
nHet number of heteroatoms Constitutional indices Basic descriptors
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)
X0Av average valence connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
X1MulPer multiplicative perturbation connectivity index Connectivity indices Randic-like connectivity indices
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
CID Randic ID number Walk and path counts ID numbers
SpAD_Dz(Z) spectral absolute deviation from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
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)
XMOD modified Randic index Connectivity indices Randic-like connectivity indices
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)
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))
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
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
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)
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))
NRS number of ring systems 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
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)
SM6_H2 spectral moment of order 6 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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)
Ho_Dz(Z) Hosoya-like index (log function) from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
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)
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)

Visualisations