Olfamining Rapport d'expérience

Informations générales
  • Algorithme : Redescription mining
  • Date de l'expérience : 31 oct. 2014 10:23:10
  • 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 X% < 0.161
ou 105.32 < SRW06 < 112.74
ou 1.794 < TIC5 < 1.858
ou 8.416 < VR3_D < 8.547
ou 0.363 < VR1_X < 0.448
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 < 0.071
92.21 1480 1576 1509
3 Balsamic nHet = 12.0
ou 1.9 < D/Dtr09 < 5.7
ou 174.46 < SRW06 < 179.92
ou 186.0 < X1MulPer < 196.0
ou 13.68 < IC5 < 15.183
ou 4.76 < BIC1 < 4.796
ou 10.857 < SpPosLog_D < 10.976
ou SpMaxA_X < 4.156
ou 1.163 < VE2_X < 1.221
ou 3.577 < SM2_D/Dt < 3.888
91.58 1470 1537 1538
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
VR1_X < 2.484
et 0.479 < SM2_H2 < 0.484
ou RFD < 8.0
et PCR < 10.0
ou 282.89 < MWC03 < 285.59
ou 1.981 < X0sol < 2.23
ou 4054.0 < RDSQ < 4170.0
ou 8.012 < Chi_D < 8.019
ou 4.816 < J_X < 4.889
ou 3.744 < WiA_Dt < 3.77
76.19 1223 1239 1589
10 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 0.057 < SM5_Dt < 0.06
ou 2.037 < VR2_Dz(Z) < 2.251
et X% < 0.308
et PHI < 19.858
ou 2.942 < IVDE < 3.342
74.81 1185 1192 1577
11 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
12 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
13 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
14 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
15 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
16 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
17 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
18 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
19 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
20 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
21 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
22 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
23 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
24 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
25 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
26 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
27 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
28 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
29 Floral
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 < 2.219
ou 0.912 < CID < 0.927
ou 9.965 < VR3_H2 < 10.172
ou 2.843 < H_Dt < 2.938
et 2.938 < X4v < 29.431
46.26 446 520 890
30 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
31 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
32 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
33 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
34 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
35 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
36 Creamy
ou Ethereal
2.0 < N% < 4.0
ou SpPosA_Dt < 0.399
et 0.052 < IC1 < 2.324
et SM6_X < 4.477
ou 354.413 < BAC < 394.563
et 6.3 < D/Dtr11
ou 53.752 < SRW04 < 53.765
ou 3.939 < IC3 < 3.943
ou 13.667 < TIC3 < 15.0
ou 13.651 < SpMaxA_Dz(Z) < 14.897
42.29 107 172 188
37 Almond
ou Animal
3.8 < D/Dtr09
et 15.0 < RDSQ < 1423.0
et SpMaxA_A < 10.0
ou 16.818 < Mv < 16.862
ou CID = 1.076
ou 3.196 < X4 < 3.197
ou X0sol = 1.863
ou 10.362 < SpPosLog_D < 10.363
ou 4.086 < H_Dz(Z) < 4.132
et S2K < 0.917
41.58 42 75 68
38 Honey
ou Lilly
1.771 < IC1
et 4.303 < J_X < 4.532
et 3.841 < SpMaxA_X < 4.523
et 1.628 < VR2_Dz(Z) < 2.67
ou 121.13 < SRW06 < 121.62
ou 416.0 < X1MulPer < 434.0
ou 9.602 < SIC3 < 9.628
ou 1.257 < HyWi_Dt < 1.26
ou 3.271 < SpPos_D/Dt < 3.275
ou 39.647 < SM6_D/Dt < 39.674
41.53 54 81 103
39 Ambre
ou Honey
4.15 < SpMaxA_X < 4.844
ou 6.246 < SpMaxA_D/Dt < 7.541
et 1.588 < piPC06 < 1.826
et 0.251 < HDcpx < 0.283
ou 8.588 < J_D < 8.591
et 1.645 < IC1 < 2.589
ou 4.948 < IC3 < 4.999
ou 2.507 < BIC3 < 2.525
ou 42.302 < SM6_D/Dt < 42.612
ou 1.842 < SpPos_Dz(Z) < 1.846
39.69 52 93 90
40 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
41 Oily
ou Pear
5.636 < IDET
et 0.467 < S0K < 0.541
ou 1.004 < IC1 < 1.056
et D/Dtr11 < 6.2
ou 0.265 < SM6_H2 < 0.269
et 0.08 < X% < 0.308
ou 43.974 < PW5 < 48.521
ou 1.151 < CID < 1.155
ou 22.363 < IC5 < 25.524
ou 0.436 < VR1_X < 0.445
38.81 184 255 403
42 Plum
ou Rose
D/Dtr11 < 10.0
et 4.0 < ZM1Mad < 8.0
et 0.693 < SpMAD_L < 3.091
ou 1.5 < X2v < 2.245
et 2.303 < Ho_X < 5.076
ou 2.403 < IC3 < 2.718
et 1.893 < TIC5 < 2.372
et 1.099 < SpPosLog_X < 4.586
ou 8.518 < Chi_D < 8.547
ou 3.78 < H_Dz(Z) < 3.783
38.46 125 195 255
43 Balsamic
ou Hay
0.353 < S2K < 0.667
ou 4.543 < SpPos_X < 5.476
et 8.452 < IC5 < 19.568
et 1.371 < VR1_X < 3.034
ou 106.0 < BAC < 106.15
ou 60.82 < X2 < 62.297
et NRS < 0.0
ou 69.971 < MWC01 < 70.082
ou 251.493 < SRW08 < 254.889
ou 39.595 < J_D/Dt < 39.696
37.26 98 174 187
44 Earthy
ou Ethereal
1.367 < IC1 < 1.675
ou HyWi_Dt < 0.728
et SM6_X < 4.369
et VE2_X < 1.138
ou 158.026 < SRW08 < 158.42
ou 3125.0 < XMOD < 3169.0
ou 435.0 < IAC < 443.0
ou 9.202 < IDE < 9.221
ou 4.13 < SM2_D/Dt < 4.14
ou 204.347 < ChiA_Dz(Z) < 205.185
36.93 130 226 256
45 Balsamic
ou Tarry
0.545 < S2K
et 0.525 < S0K < 0.572
ou 4.025 < Chi_X < 4.229
et 1.201 < IC1 < 2.924
et 1.166 < VR1_X
ou 106.0 < BAC < 106.15
ou 104.987 < SRW04 < 105.661
ou 8.873 < J_D < 8.902
ou 3.237 < VR1_D/Dt < 3.254
et VE2_D/Dt < 1.39
35.46 100 174 208
46 Orange-blossom
ou Spicy
7.0 < ZM1MulPer
ou 0.087 < VR1_H2 < 0.09
et 0.896 < SpAD_A < 1.838
ou 10.647 < SpPos_D < 10.807
et 3.6 < D/Dtr11 < 13.0
ou 18.692 < PW5 < 22.607
ou 7.762 < VE2_D < 7.797
et 0.262 < SM4_H2 < 0.327
ou 1033.0 < X4sol < 1039.0
ou 6.991 < SIC3 < 6.999
35.1 86 158 173
47 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
48 Earthy
ou Peachy
nBnz = 2.0
ou 44.8 < D/Dtr07 < 46.9
et 0.982 < SpPosA_Dt < 1.468
ou 1.608 < VE1_Dz(Z) < 1.618
et 0.663 < IC1 < 1.785
ou 1.217 < VE2_D/Dt < 1.22
et 1.414 < piPC02 < 3.536
ou 15.675 < IDDE < 16.431
ou 5.244 < IDET < 5.293
ou 6.777 < SIC3 < 6.82
31.44 50 102 107

Qualités

Hay Apricot Balsami Banana Gree Balsamic Leafy Honey Plum Apple Waxy Orange-blossom Medicinal Creamy Peachy Jasmin Fatty Flora Rose Ros Citrus Tarry Minty Pear Anisic Vanilin Almond Piney Pineapple Orange Gassy Lilly Musk Ethereal Brandy Fatt Ambre Mossy Tobacco Animal Floral Buterry Wood Earthy Wine Oil Spicy Green Phenolic Hyacinth Fruit Nut Oily Caramelic Etherea Berry Sour Camphor

Propriétés physico-chimiques

Code Description Catégorie Sous-catégorie
X0v valence connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
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))
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
nBnz number of benzene-like rings Ring descriptors Basic descriptors
SpMaxA_A normalized leading eigenvalue from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
MWC01 molecular walk count of order 1 Walk and path counts Walk counts
SpPosA_Dt normalized spectral positive sum from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
X4Av average valence connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
ZM2V second Zagreb index by valence vertex degrees Topological indices Vertex degree-based indices
SM6_H2 spectral moment of order 6 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))
SRW08 self-returning walk count of order 8 Walk and path counts Self-returning walk counts
SRW06 self-returning walk count of order 6 Walk and path counts Self-returning walk counts
X2Av average valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
SpPos_X spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpAD_D/Dt spectral absolute deviation from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/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
X0Av average valence connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
nR05 number of 5-membered rings Ring descriptors Basic descriptors
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))
Psi_e_1d electrotopological state pseudoconnectivity index - type 1d Topological indices E-state indices
PW5 path/walk 5 - Randic shape index Topological indices Path/walk indices
SpMaxA_D/Dt normalized leading eigenvalue from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SpPos_D spectral positive sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
Chi_D/Dt Randic-like index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
AVS_X average vertex sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
VE1_Dt coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
SpPos_D/Dt spectral positive sum from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
X0A average connectivity index of order 0 Connectivity indices Kier-Hall molecular connectivity indices
IDE mean information content on the distance equality Information indices Basic descriptors
SM2_H2 spectral moment of order 2 from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
Ho_X Hosoya-like index (log function) from chi matrix 2D matrix-based descriptors Chi matrix (X)
Ho_D/Dt Hosoya-like index (log function) from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SpPosLog_X logarithmic spectral positive sum from chi matrix 2D matrix-based descriptors Chi matrix (X)
VE2_H2 average coefficient of the last eigenvector from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
VR2_A normalized Randic-like eigenvector-based index from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
AVS_D/Dt average vertex sum from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
RDSQ reciprocal distance sum inverse Randic-like index Connectivity indices Randic-like connectivity indices
SpPosLog_D logarithmic spectral positive sum from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
PHI Kier flexibility index Topological indices Path/walk indices
J_D/Dt Balaban-like index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SIC3 Structural Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
Chi_X Randic-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
SIC1 Structural Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
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
XMOD modified Randic index Connectivity indices Randic-like connectivity indices
ON0V overall modified Zagreb index of order 0 by valence vertex degrees Topological indices Vertex degree-based indices
Rbrid ring bridge count Ring descriptors Basic descriptors
VR1_H2 Randic-like eigenvector-based 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)
EE_Dt Estrada-like index (log function) from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
VE2_X average coefficient of the last eigenvector from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpAD_X spectral absolute deviation from chi matrix 2D matrix-based descriptors Chi matrix (X)
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))
IVDE mean information content on the vertex degree equality Information indices Basic descriptors
VE2_D average coefficient of the last eigenvector 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)
SpPos_H2 spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
VR3_D/Dt logarithmic Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SpAD_A spectral absolute deviation from adjacency matrix 2D matrix-based descriptors Adjacency matrix (A)
VE2_D/Dt average coefficient of the last eigenvector from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
IDET total information content on the distance equality Information indices 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))
IAC total information index on atomic composition Information indices Basic descriptors
J_X Balaban-like index from chi matrix 2D matrix-based descriptors Chi matrix (X)
ZM1MulPer first Zagreb index by multiplicative perturbation vertex degrees Topological indices Vertex degree-based indices
RFD ring fusion density Ring descriptors Basic descriptors
SM6_D/Dt spectral moment of order 6 from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
Chi_H2 Randic-like index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
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))
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))
H_Dt Harary-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
NRS number of ring systems Ring descriptors Basic descriptors
SpMaxA_Dz(Z) normalized leading eigenvalue from Barysz matrix weighted by atomic number 2D matrix-based descriptors Barysz matrix weighted by atomic number (Dz(Z))
D/Dtr11 distance/detour ring index of order 11 Ring descriptors Basic descriptors
X1MulPer multiplicative perturbation connectivity index Connectivity indices Randic-like connectivity indices
piPC06 molecular multiple path count of order 6 Walk and path counts Multiple path counts
J_D Balaban-like index from topological distance matrix (Balaban distance connectivity index) 2D matrix-based descriptors Topological distance matrix (D)
Mv mean atomic van der Waals volume (scaled on Carbon atom) Constitutional indices Basic descriptors
piPC02 molecular multiple path count of order 2 Walk and path counts Multiple path counts
Mp mean atomic polarizability (scaled on Carbon atom) Constitutional indices Basic descriptors
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
SpPosLog_D/Dt logarithmic spectral positive sum from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
TIC1 Total Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
MPC06 molecular path count of order 6 Walk and path counts Path counts
S2K 2-path Kier alpha-modified shape index Topological indices Path/walk indices
D/Dtr09 distance/detour ring index of order 9 Ring descriptors Basic descriptors
IDDE mean information content on the distance degree equality Information indices Basic descriptors
D/Dtr07 distance/detour ring index of order 7 Ring descriptors Basic descriptors
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))
GNar Narumi geometric topological index Topological indices Vertex degree-based indices
Wi_D Wiener-like index from topological distance matrix (Wiener index) 2D matrix-based descriptors Topological distance matrix (D)
SM3_Dt spectral moment of order 3 from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
MW molecular weight Constitutional indices Basic descriptors
SpMAD_Dt spectral mean absolute deviation from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
ChiA_Dt average Randic-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
VE3_Dt logarithmic coefficient sum of the last eigenvector from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
BIC3 Bond Information Content index (neighborhood symmetry of 3-order) Information indices Indices of neighborhood symmetry
TPC total path count Walk and path counts ID numbers
BIC1 Bond Information Content index (neighborhood symmetry of 1-order) Information indices Indices of neighborhood symmetry
N% percentage of N atoms Constitutional indices Basic descriptors
HyWi_Dt hyper-Wiener-like index (log function) 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)
PCR ratio of multiple path count over path coun Walk and path counts ID numbers
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))
VR3_X logarithmic Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors Chi matrix (X)
X4sol solvation connectivity index of order 4 Connectivity indices Solvation connectivity indices
HDcpx graph distance complexity index (log function) Information indices Basic descriptors
VR1_X Randic-like eigenvector-based index from chi matrix 2D matrix-based descriptors Chi matrix (X)
S0K Kier symmetry index Information indices Basic descriptors
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))
X4v valence connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
VR3_D logarithmic Randic-like eigenvector-based index from topological distance matrix 2D matrix-based descriptors Topological distance matrix (D)
SpPosLog_H2 logarithmic spectral positive sum from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
nHet number of heteroatoms Constitutional indices Basic descriptors
WiA_Dt average Wiener-like index from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
X4 connectivity index of order 4 Connectivity indices Kier-Hall molecular connectivity indices
Yindex Balaban Y index Information indices Basic descriptors
X2 connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
VR3_H2 logarithmic Randic-like eigenvector-based index from reciprocal squared distance matrix 2D matrix-based descriptors Reciprocal squared distance matrix (H2)
nCsp2 number of sp2 hybridized Carbon atoms Constitutional indices Basic descriptors
ZM1Mad first Zagreb index by Madan vertex degrees Topological indices Vertex degree-based indices
X0sol solvation connectivity index of order 0 Connectivity indices Solvation connectivity indices
X% percentage of halogen atoms Constitutional indices Basic descriptors
SpMax_Dt leading eigenvalue from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
CID Randic ID number Walk and path counts ID numbers
X2v valence connectivity index of order 2 Connectivity indices Kier-Hall molecular connectivity indices
MAXDP maximal electrotopological positive variation Topological indices E-state indices
SM6_X spectral moment of order 6 from chi matrix 2D matrix-based descriptors Chi matrix (X)
VR1_D/Dt Randic-like eigenvector-based index from distance/detour matrix 2D matrix-based descriptors Distance / detour matrix (D/Dt)
SpMAD_L spectral mean absolute deviation from Laplace matrix 2D matrix-based descriptors Laplace matrix (L)
SM4_X spectral moment of order 4 from chi matrix 2D matrix-based descriptors Chi matrix (X)
SM2_X spectral moment of order 2 from chi matrix 2D matrix-based descriptors Chi matrix (X)
SpMaxA_X normalized leading eigenvalue from chi matrix 2D matrix-based descriptors Chi matrix (X)
BAC Balaban centric index Topological indices Centric indices
SM5_Dt spectral moment of order 5 from detour matrix 2D matrix-based descriptors Detour matrix (Dt)
Vindex Balaban V index Information indices Basic descriptors
Sv sum of atomic van der Waals volumes (scaled on Carbon atom) Constitutional indices Basic descriptors
SRW10 self-returning walk count of order 10 Walk and path counts Self-returning walk counts
Sp sum of atomic polarizabilities (scaled on Carbon atom) Constitutional indices Basic descriptors
MWC09 molecular walk count of order 9 Walk and path counts Walk counts

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