Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 11:24:45
  • 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 31.4 < D/Dtr07
et 0.613 < IDET
et SM4_H2 < 0.421
ou nR05 = 1.0
ou 64.78 < MWC03 < 70.53
ou 25.408 < SRW02 < 29.515
ou 149.04 < SRW06 < 169.76
ou 2.349 < IC1 < 2.6
ou 2.18 < BIC1 < 2.194
ou 1.224 < ChiA_Dt < 3.262
94.7 1520 1545 1580
2 Fatty 78.91 < SRW08 < 83.786
ou 1.763 < TIC5 < 1.858
ou SpAD_A < 1.891
ou 8.416 < VR3_D < 8.547
ou 0.098 < VR1_H2 < 0.106
ou 2.491 < H_Dt < 2.652
ou 1.133 < HyWi_Dt < 1.223
ou 0.732 < SpMax_Dt
ou 0.123 < SM3_Dt < 0.125
ou SM5_Dt < 0.07
92.52 1485 1576 1514
3 Balsamic 11.0 < nHet < 12.0
ou NRS = 1.0
ou 2.398 < X4 < 3.131
ou 186.0 < X1MulPer < 196.0
ou 13.68 < IC5 < 15.183
ou 4.76 < BIC1 < 4.796
ou 4.654 < Ho_D < 4.673
ou SpMaxA_X < 4.15
ou 1.163 < VE2_X < 1.221
ou 3.577 < SM2_D/Dt < 3.888
91.9 1475 1537 1543
4 Woody S0K < 0.586
et 3.497 < Chi_D < 9.024
ou 35.1 < D/Dtr07 < 35.5
ou 114.497 < MWC05 < 130.397
ou 272.0 < X2Av < 315.0
ou 3.872 < IDDE < 4.031
ou 1.685 < IC1 < 1.739
ou 5.112 < SM6_X < 5.22
ou 8.949 < VE3_Dt < 9.571
ou 0.786 < SM5_Dz(Z)
90.09 1446 1466 1585
5 Rose 33.723 < Mv < 34.821
ou 317.0 < X1MulPer < 357.0
ou 11.961 < IDDE < 12.722
ou 0.111 < Vindex < 0.114
ou 0.058 < Yindex < 0.06
ou 1.959 < IC1
ou 4.948 < SpAD_X < 5.16
ou 4.761 < Ho_D/Dt < 4.845
ou VR1_D/Dt < 3.131
ou 1.004 < VE1_Dz(Z) < 1.112
89.15 1431 1513 1523
6 Oily 6.062 < Sv
ou 0.212 < X% < 0.234
ou 137.885 < BAC < 141.885
ou 105.06 < MWC03 < 148.71
ou 1.42 < CID < 1.43
ou IVDE < 9.437
ou 9.594 < SpPosLog_D < 9.625
ou 0.491 < SM2_H2 < 0.501
ou 1.331 < HyWi_Dt < 1.347
ou 0.458 < SpPosA_Dt < 0.629
88.9 1427 1457 1575
7 Winey X% < 0.196
ou 36.727 < SRW02 < 70.727
ou 59.651 < SRW04 < 62.641
ou 178.42 < SRW06 < 188.36
ou 0.224 < HDcpx < 0.232
ou 8.09 < Chi_D < 8.268
ou 8.796 < SpPosLog_D < 9.086
ou 1.219 < VE2_X
ou 0.507 < SpPosA_Dt < 0.563
ou SpPos_Dz(Z) < 0.808
87.91 1411 1575 1441
8 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
82.8 1329 1349 1585
9 Floral
ou Jasmin
ou Lilly
VR1_X < 2.484
et 0.479 < SM2_H2 < 0.484
ou 7.0 < H% < 12.5
ou 1.971 < X0sol < 2.23
et PCR < 10.0
ou 5.957 < Sv < 5.966
ou D/Dtr11 = 3.8
ou 8.007 < Chi_D < 8.019
ou 4.816 < J_X < 4.889
ou 1.872 < H_Dt < 2.056
77.19 1239 1256 1588
10 Floral
ou Jasmin
ou Lilly
VR1_X < 2.484
et 0.479 < SM2_H2 < 0.484
ou 1.971 < X0sol < 2.23
et PCR < 10.0
ou 5.957 < Sv < 5.966
ou D/Dtr11 = 3.8
ou 8.007 < Chi_D < 8.019
ou 2.079 < VE3_L < 2.603
ou 4.816 < J_X < 4.889
ou 1.872 < H_Dt < 2.056
77.19 1239 1256 1588
11 Berry
ou Ethereal
ou Fruity
IDDE < 5.814
ou 1.687 < IC1 < 1.771
ou J_X = 2.833
ou 2.101 < SpPosLog_H2 < 2.351
ou 0.129 < VR1_H2 < 0.13
ou 2.036 < HyWi_Dt < 3.223
ou 3.379 < WiA_Dz(Z) < 3.393
et X% < 0.308
ou 73.983 < SRW04 < 74.651
ou 1.347 < X2v < 1.385
76.18 1222 1226 1600
12 Berry
ou Ethereal
ou Fruity
73.983 < SRW04 < 74.651
ou IDDE < 5.814
ou 1.687 < IC1 < 1.771
ou J_X = 2.833
ou 2.101 < SpPosLog_H2 < 2.351
ou 0.129 < VR1_H2 < 0.13
ou 2.036 < HyWi_Dt < 3.223
ou 3.379 < WiA_Dz(Z) < 3.393
et X% < 0.308
ou 1.347 < X2v < 1.385
76.18 1222 1226 1600
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
ou VR3_X = 3.342
et 10.0 < D/Dtr11
et 2.949 < SpPosLog_H2 < 4.385
69.23 18 26 18
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
ou Wi_D = 6.845
et 4.135 < H_Dt < 6.87
et 0.08 < SM3_Dt
ou 0.38 < HDcpx < 0.387
et 30.621 < MAXDP
66.66 20 29 21
15 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
16 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
17 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
ou 5.05 < SM4_X < 5.056
et 93.03 < SRW02
et HDcpx < 0.342
et 1.254 < IC1 < 1.953
et 0.045 < SM3_Dt < 0.062
et SM5_Dt < 0.033
56.66 17 24 23
18 Camphor 0.571 < GNar < 0.8
ou 4.117 < BIC1 < 4.156
et IC1 < 1.395
ou 48.0 < MWC01 < 48.104
ou 529.0 < X4sol < 545.0
ou 1.667 < IVDE < 1.688
ou 1.343 < SM5_Dz(Z) < 1.531
et 2.914 < SpPos_H2
ou VE1_Dt = 11.475
et 0.722 < WiA_Dz(Z) < 3.457
54.87 45 66 61
19 Sour 0.071 < X% < 0.281
et 18.0 < IAC < 448.0
et 0.2 < HDcpx < 0.305
et 2.132 < IC1 < 3.046
ou 2.899 < BIC1 < 2.91
et 26.3 < D/Dtr07
et 8.181 < IC5 < 22.211
et 0.149 < VR1_X < 0.483
ou 0.971 < SpAD_A < 0.983
et 0.096 < EE_Dt < 0.207
52.77 19 25 30
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 Caramelic ON0V = 5.0
ou X4Av = 8.0
et 1.056 < VE2_X < 1.296
et 2.511 < VR2_Dz(Z)
ou MW = 158.22
ou 14.832 < Sp < 14.923
ou MWC09 = 220.0
ou 126.768 < SRW08 < 127.012
ou 4.486 < Ho_X < 4.505
et 0.832 < IC3 < 4.44
50.66 38 55 58
22 Buterry 4.816 < BIC1 < 4.835
ou Chi_D/Dt < 0.667
et 1.747 < IC1 < 2.407
et 9.38 < IC5 < 20.747
et 0.473 < SM2_H2 < 0.531
et 0.616 < SpMax_Dt < 0.683
et 0.179 < SpMAD_Dt < 0.268
et 0.09 < EE_Dt < 0.154
et 1.792 < VR2_Dz(Z) < 2.531
50.0 17 28 23
23 Citrus 40.997 < SRW04 < 50.0
et 46.85 < SpPosLog_D/Dt < 47.528
ou BIC1 = 5.982
ou 6.772 < VE2_D < 6.774
ou 0.423 < VR1_X < 0.432
ou 0.241 < EE_Dt < 0.247
et 1.114 < VE1_Dz(Z) < 1.969
ou 7.774 < IDDE < 7.779
ou 5.322 < IVDE < 5.358
ou 3788.11 < HyWi_Dz(Z) < 3879.25
50.0 50 78 72
24 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 1.971 < VR1_X < 2.019
ou 14.958 < Chi_H2 < 15.079
et 0.062 < Yindex
ou 1.497 < ChiA_Dt < 1.498
et 1.795 < IC1
ou SRW10 = 6.417
50.0 33 56 43
25 Floral
ou Minty
ou Nut
8.328 < SpPos_D < 8.444
ou 0.078 < VR1_H2 < 0.111
ou 2.264 < AVS_D/Dt < 2.611
et 1.0 < nBnz < 4.0
et 0.033 < Yindex < 0.101
et 0.349 < SpPosA_Dt < 2.369
ou 5.0 < D/Dtr09 < 5.9
ou 9.747 < IC5 < 9.873
ou 9.965 < VR3_H2 < 10.172
ou 2.843 < H_Dt < 2.938
48.92 499 584 935
26 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
ou VR2_A = 5.753
ou 6.633 < VR3_D/Dt < 6.634
et 1.201 < MPC06 < 2.222
et 0.074 < EE_Dt < 0.116
48.88 22 41 26
27 Hyacinth 0.063 < X%
et 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 NRS < 0.0
et 0.27 < HDcpx < 0.322
et 1.147 < VR1_X
et 0.106 < EE_Dt
ou 250.0 < Psi_e_1d < 252.0
47.72 21 31 34
28 Gassy D/Dtr09 < 4.2
et 0.983 < IC5 < 2.889
et 3.801 < SIC1 < 9.253
ou 132.792 < MWC05 < 133.124
ou 0.91 < IVDE < 0.942
ou 0.925 < IC1 < 0.943
ou 8.095 < TIC1 < 8.197
et X0sol < 2.162
et 0.56 < SpMax_Dt < 0.791
47.54 29 47 43
29 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
et SpMax_Dt < 0.711
ou 2.98 < SpPosLog_H2 < 2.997
et X% < 0.297
et 2.1 < MPC06
47.5 38 63 55
30 Banana
ou Brandy
1.315 < BIC3 < 1.323
ou 0.252 < SM6_H2 < 0.26
et 125.471 < BAC < 153.471
et 0.127 < EE_Dt < 0.179
ou 1.678 < IC1 < 1.679
et 0.171 < VE2_H2
ou 4.134 < H_Dz(Z) < 4.136
et 3.174 < IC3 < 4.358
ou X0v = 10.0
et 1.152 < VE1_Dz(Z)
46.55 27 48 37
31 Orange 8.769 < IDDE < 10.716
ou J_D/Dt = 39.192
et X% < 0.267
et Rbrid < 25.0
et 32.3 < D/Dtr07 < 39.1
et 2.7 < D/Dtr11 < 5.1
et 0.048 < Yindex < 0.073
ou SM4_H2 = 0.395
et 7.398 < IVDE
et 1.962 < TIC5 < 2.273
46.34 19 32 28
32 Medicinal 0.333 < HDcpx < 0.352
ou 4.447 < SpPos_X < 4.46
et 1.574 < VE1_Dz(Z) < 1.894
ou 108.1 < MW < 108.15
ou 198.0 < MWC09 < 199.0
et 1.592 < IC3 < 3.888
ou 6.017 < SIC3 < 6.02
et 0.806 < CID < 1.102
et 0.549 < S0K < 0.613
46.15 24 41 35
33 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 4.82 < BIC1 < 4.825
ou 0.691 < SM3_Dz(Z) < 0.696
et 1.027 < VE2_X < 1.099
ou 60.056 < TIC1 < 60.521
et 2.281 < WiA_Dz(Z)
44.87 35 56 57
34 Green
et 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
ou 5.494 < SpAD_D/Dt < 5.495
et 1.431 < IC3 < 3.736
et TIC1 < 46.111
ou 55.019 < SM1_Dz(Z) < 55.071
et 31.0 < D/Dtr07 < 37.5
44.82 26 44 40
35 Jasmin 20.248 < IC5 < 21.434
ou 0.143 < VE2_H2 < 0.151
et 1.025 < IC1 < 2.098
et 0.031 < SM5_Dt < 0.085
et 2.649 < VR1_D/Dt < 3.078
ou 0.169 < Vindex < 0.17
et 2.996 < AVS_X
et 3.148 < H_Dt < 4.83
et 1.252 < HyWi_Dt < 2.53
ou SpMaxA_X = 3.976
44.44 20 29 36
36 Almond
ou Tobacco
1.0 < nCsp2
et X4 < 2.944
et 6.013 < IC5 < 14.861
et 0.295 < SM4_H2 < 0.336
ou 12.5 < D/Dtr09
ou S0K = 0.532
et SpPosA_Dt < 1.022
ou 46.245 < SpPosLog_D/Dt < 46.429
ou SM5_Dz(Z) = 0.529
et 1.036 < VE2_X < 1.384
44.15 34 57 54
37 Earthy
ou Ethereal
ou Oily
0.231 < X% < 0.31
ou 1.367 < IC1 < 1.675
ou HyWi_Dt < 0.728
et SNar < 0.357
ou 25.114 < Mp < 25.29
ou 2.303 < IC3 < 2.52
ou 2.372 < WiA_H2 < 2.437
ou 4.09 < Ho_D/Dt < 4.111
ou 204.303 < ChiA_Dz(Z) < 205.185
ou 1.494 < Ho_Dz(Z) < 1.497
43.91 339 440 671
38 Animal 3.7 < D/Dtr09 < 8.3
ou 13.075 < SIC1 < 13.33
et 16.0 < X0Av < 67.0
et 1.176 < HyWi_Dt < 3.522
ou TPC = 12.5
et Ho_X < 5.654
ou CID = 1.076
ou 0.208 < X2v < 0.278
et 3.584 < SM6_X < 7.777
42.42 28 51 43
39 Balsamic
ou Green
ou Tarry
0.545 < S2K
ou 4.551 < IDDE < 9.967
ou 30.052 < TIC1 < 41.037
ou 4.025 < Chi_X < 4.229
et X0A < 10.009
et 0.64 < X2v < 1.852
et VE2_D/Dt < 1.451
ou 0.244 < HDcpx < 0.247
ou 7.984 < VR1_D < 8.032
ou 1.161 < VE2_X < 1.188
40.53 424 509 961
40 Ambre
ou Honey
ou Oily
15.307 < Mp < 15.602
ou 8.515 < IVDE
ou 6.246 < SpMaxA_D/Dt < 7.541
et 0.467 < S0K < 0.55
ou 49.3 < MAXDP < 50.625
ou 229.749 < MWC05 < 239.027
ou 1.151 < CID < 1.156
ou 2211.0 < X2sol < 2259.0
ou 3.719 < BIC1 < 3.747
ou 7.052 < AVS_D < 7.062
40.19 205 320 395
41 Berry
ou Fatty
1.245 < CID < 1.343
ou 0.093 < SM5_Dt < 0.128
et 0.188 < X% < 0.31
et 1.714 < IC3 < 4.57
et 0.156 < EE_Dt
et 0.619 < SpPos_Dz(Z) < 1.406
ou 101.225 < SRW08 < 102.157
ou 200.0 < IAC < 212.0
ou 4.67 < WiA_Dt < 4.671
ou 2.286 < ChiA_Dt < 2.303
38.93 102 157 207
42 Apricot
ou Tobacco
1.684 < IC1 < 1.822
et 10.301 < SM2_X < 10.975
et 0.032 < SM5_Dt < 0.075
ou 2.301 < IDDE < 2.413
ou 1.251 < IDET < 1.27
et 0.59 < SM5_Dz(Z) < 0.913
ou 5.522 < WiA_Dt < 5.545
et 9.749 < SpPosLog_D < 11.216
ou 2.813 < VR2_Dz(Z) < 2.815
et 3.314 < IC5 < 22.783
34.44 31 61 60

Qualités

Apricot Balsami Banana Gree Balsamic Leafy Honey Apple Waxy Medicinal Jasmin Fatty Flora Ros Citrus Tarry Minty Anisic Vanilin Almond Piney Pineapple Orange Gassy Lilly Musk Ethereal Brandy Fatt Ambre Mossy Tobacco Animal Floral Buterry Wood Earthy Wine Oil 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)
TPC total path count Walk and path counts ID numbers
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
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)
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)
H% percentage of H atoms Constitutional indices Basic descriptors
SpPos_D spectral positive sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
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)
VE3_L logarithmic coefficient sum of the last eigenvector from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
SM1_Dz(Z) spectral moment of order 1 from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
PCR ratio of multiple path count over path coun Walk and path counts ID numbers
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)
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))
VR3_D/Dt logarithmic Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
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
IDE mean information content on the distance equality Information indices Basic descriptors
nBnz number of benzene-like rings Ring descriptors Basic descriptors
Vindex Balaban V index Information indices Basic descriptors
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
SNar Narumi simple topological index (log function) Topological indices Vertex degree-based indices
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
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
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)
Psi_e_1d electrotopological state pseudoconnectivity index - type 1d Topological indices E-state indices
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
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))
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)
SRW10 self-returning walk count of order 10 Walk and path counts Self-returning walk counts
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
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
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
VR2_A normalized Randic-like eigenvector-based index from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
MWC01 molecular walk count of order 1 Walk and path counts Walk counts
AVS_D average vertex sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
nHet number of heteroatoms Constitutional indices Basic descriptors
SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
VR1_D Randic-like eigenvector-based index from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices Vertex degree-based indices
Ho_D Hosoya-like index (log function) from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
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
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
ChiA_Dz(Z) average Randic-like index from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
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)
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
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
SM6_X spectral moment of order 6 from chi matrix 2D matrix-based descriptors Chi matrix (X)
J_X Balaban-like index 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))
D/Dtr09 distance/detour ring index of order 9 Ring descriptors Basic descriptors
IAC total information index on atomic composition Information indices Basic descriptors
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
HyWi_Dz(Z) hyper-Wiener-like index (log function) from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
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))
SM4_X spectral moment of order 4 from chi matrix 2D matrix-based descriptors Chi matrix (X)
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)
S2K 2-path Kier alpha-modified shape index Topological indices Path/walk indices
Mv mean atomic van der Waals volume (scaled on Carbon atom) Constitutional indices Basic descriptors
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
Chi_X Randic-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
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)
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))
Rbrid ring bridge count Ring descriptors Basic descriptors
nCsp2 number of sp2 hybridized Carbon atoms Constitutional indices 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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