| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | X% < 0.107 ou 257.55 < MWC03 < 264.94 ou 12.019 < piPC04 < 13.693 ou 1.687 < IC1 < 1.899 ou 0.682 < SM5_Dz(Z) < 0.786 |
72.63 | 1043 | 1119 | 1360 | ||
| 2 | 4.546 < IC5 < 5.315 ou 1.178 < VR1_X < 3.312 ou 0.163 < SM6_H2 < 0.185 ou 2.357 < VR1_D/Dt < 2.406 ou 1.459 < WiA_Dz(Z) < 1.971 |
69.22 | 994 | 1213 | 1217 | ||
| 3 | Musk | 0.208 < X2v < 0.975 et 7.823 < SpAD_D/Dt < 8.877 ou 130.0 < SRW02 < 130.545 ou 2.967 < SpMaxA_H2 < 2.984 et 5.815 < SIC3 < 12.964 |
55.55 | 30 | 52 | 32 | |
| 4 | IVDE < 3.647 ou 5.261 < Wi_D/Dt et HyWi_Dt < 5.881 ou 21.113 < IC5 ou 6.182 < Ho_D/Dt |
54.03 | 776 | 1332 | 880 | ||
| 5 | Pineapple | 1.711 < IC1 < 1.772 et 1.028 < VE2_X < 1.053 ou 3.743 < SpPos_H2 < 3.745 ou 1.943 < ChiA_Dt < 1.947 et 0.039 < SM3_Dt < 0.124 |
49.29 | 35 | 52 | 54 | |
| 6 | 95.971 < MWC01 ou HDcpx < 0.269 et SM5_Dt < 0.335 ou 12.0 < ZM1MulPer < 14.0 ou 0.635 < S0K |
48.29 | 693 | 1333 | 795 | ||
| 7 | 95.971 < MWC01 ou 0.635 < S0K ou HDcpx < 0.269 et SM5_Dt < 0.335 ou 12.0 < ZM1MulPer < 14.0 |
48.29 | 693 | 1333 | 795 | ||
| 8 | Waxy | 0.209 < EE_Dt < 0.211 ou 0.15 < SM3_Dt < 0.178 et 0.226 < HDcpx < 0.25 ou 7.902 < X0A < 7.922 et 7.31 < CIC5 < 7.762 |
45.23 | 38 | 63 | 59 | |
| 9 | Camphor | 48.0 < MWC01 < 48.104 ou 85.007 < MWC05 < 85.163 ou 529.0 < X4sol < 545.0 ou 0.63 < S0K et 5.252 < SM4_D < 6.688 |
43.03 | 34 | 66 | 47 | |
| 10 | Ethereal | ChiA_Dt < 1.058 ou 0.631 < HyWi_Dt < 0.673 et 0.5 < IC1 < 2.324 et VR1_X < 0.42 ou 0.863 < VE2_D/Dt < 0.918 |
41.79 | 84 | 144 | 141 | |
| 11 | Minty | 7.669 < VE2_D < 7.682 ou 5.016 < VE3_Dt < 5.109 et 7.899 < SIC1 < 11.002 ou 90.465 < SRW02 < 90.636 ou IDDE = 2.297 |
40.65 | 37 | 71 | 57 | |
| 12 | Minty | 7.669 < VE2_D < 7.682 ou 5.016 < J_H2 < 5.109 et 7.899 < SIC1 < 11.002 ou 90.465 < SRW02 < 90.636 ou IDDE = 2.297 |
40.65 | 37 | 71 | 57 | |
| 13 | Minty | 7.669 < VE2_D < 7.682 ou 30.672 < J_D/Dt < 31.232 et 7.899 < SIC1 < 11.002 ou 90.465 < SRW02 < 90.636 ou IDDE = 2.297 |
40.65 | 37 | 71 | 57 | |
| 14 | Woody | 0.569 < S0K < 0.655 et 0.484 < IC1 < 1.992 et 1.099 < SpPosLog_X < 5.557 ou 64.997 < SRW04 < 65.322 ou 1.65 < SpPos_Dz(Z) < 1.7 |
36.22 | 138 | 223 | 296 | |
| 15 | Oily | 8.515 < IVDE ou 6.447 < VE2_D < 6.6 et 0.101 < SM3_Dt < 0.203 ou 1.151 < CID < 1.155 ou 0.641 < VR1_X < 0.701 |
35.67 | 132 | 232 | 270 | |
| 16 | Fatty | 9.888 < SM2_X < 9.931 ou SpMax_Dt = 0.658 ou 0.128 < SM3_Dt < 0.18 et 0.19 < X% < 0.283 ou 4.67 < WiA_Dt < 4.671 |
34.8 | 71 | 113 | 162 | |
| 17 | Balsamic | 60.82 < X2 < 62.297 ou 1.371 < VR1_X < 3.312 ou 9.557 < VR3_H2 < 9.632 et 2.236 < piPC02 < 3.674 et 2.626 < WiA_Dz(Z) < 4.037 |
34.24 | 75 | 152 | 142 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| VE3_Dt | logarithmic coefficient sum of the last eigenvector 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) | |
| VE2_X | average coefficient of the last eigenvector from chi matrix | 2D matrix-based descriptors | Chi matrix (X) | |
| IVDE | mean information content on the vertex degree equality | Information indices | Basic descriptors | |
| SM5_Dt | spectral moment of order 5 from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| IC5 | Information Content index (neighborhood symmetry of 5-order) | Information indices | Indices of neighborhood symmetry | |
| ZM1MulPer | first Zagreb index by multiplicative perturbation vertex degrees | Topological indices | Vertex degree-based indices | |
| SM4_D | spectral moment of order 4 from topological distance matrix | 2D matrix-based descriptors | Topological distance matrix (D) | |
| IC1 | Information Content index (neighborhood symmetry of 1-order) | Information indices | Indices of neighborhood symmetry | |
| SM2_X | spectral moment of order 2 from chi matrix | 2D matrix-based descriptors | Chi matrix (X) | |
| IDDE | mean information content on the distance degree equality | Information indices | Basic descriptors | |
| SpMaxA_H2 | normalized leading eigenvalue from reciprocal squared distance matrix | 2D matrix-based descriptors | Reciprocal squared distance matrix (H2) | |
| 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 | |
| X2v | valence connectivity index of order 2 | Connectivity indices | Kier-Hall molecular connectivity indices | |
| J_D/Dt | Balaban-like index from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| VE2_D | average coefficient of the last eigenvector from topological distance matrix | 2D matrix-based descriptors | Topological distance matrix (D) | |
| VR1_D/Dt | Randic-like eigenvector-based index from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| SM3_Dt | spectral moment of order 3 from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| J_H2 | Balaban-like index 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) | |
| SpAD_D/Dt | spectral absolute deviation from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| WiA_Dt | average Wiener-like index from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| X0A | average connectivity index of order 0 | Connectivity indices | Kier-Hall molecular connectivity indices | |
| Wi_D/Dt | Wiener-like index from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| HyWi_Dt | hyper-Wiener-like index (log function) from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| VR1_X | Randic-like eigenvector-based index from chi matrix | 2D matrix-based descriptors | Chi matrix (X) | |
| 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)) | |
| Ho_D/Dt | Hosoya-like index (log function) from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| 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)) | |
| X4sol | solvation connectivity index of order 4 | Connectivity indices | Solvation connectivity indices | |
| 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)) | |
| CIC5 | Complementary Information Content index (neighborhood symmetry of 5-order) | Information indices | Indices of neighborhood symmetry | |
| SRW04 | self-returning walk count of order 4 | Walk and path counts | Self-returning walk counts | |
| MWC05 | molecular walk count of order 5 | Walk and path counts | Walk counts | |
| SRW02 | self-returning walk count of order 2 | Walk and path counts | Self-returning walk counts | |
| MWC03 | molecular walk count of order 3 | Walk and path counts | Walk counts | |
| CID | Randic ID number | Walk and path counts | ID numbers | |
| MWC01 | molecular walk count of order 1 | Walk and path counts | Walk counts | |
| X2 | connectivity index of order 2 | Connectivity indices | Kier-Hall molecular connectivity indices | |
| SpPosLog_X | logarithmic spectral positive sum from chi matrix | 2D matrix-based descriptors | Chi matrix (X) | |
| VE2_D/Dt | average coefficient of the last eigenvector from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| SpMax_Dt | leading eigenvalue from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| VR3_H2 | logarithmic Randic-like eigenvector-based index from reciprocal squared distance matrix | 2D matrix-based descriptors | Reciprocal squared distance matrix (H2) | |
| SpPos_H2 | spectral positive sum from reciprocal squared distance matrix | 2D matrix-based descriptors | Reciprocal squared distance matrix (H2) | |
| X% | percentage of halogen atoms | 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) | |
| HDcpx | graph distance complexity index (log function) | Information indices | Basic descriptors | |
| piPC04 | molecular multiple path count of order 4 | Walk and path counts | Multiple path counts | |
| S0K | Kier symmetry index | Information indices | Basic descriptors | |
| piPC02 | molecular multiple path count of order 2 | Walk and path counts | Multiple path counts |