| # | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
|---|---|---|---|---|---|---|---|
| 1 | 2.349 < IC1 ou 1.792 < SpPos_X ou 2.049 < WiA_H2 < 2.132 ou 1.22 < ChiA_Dt < 2.893 |
91.9 | 1475 | 1545 | 1535 | ||
| 2 | X% < 0.189 ou 8.416 < VR3_D < 8.547 ou 1.118 < HyWi_Dt < 1.223 ou SM3_Dt < 0.108 |
87.91 | 1411 | 1576 | 1440 | ||
| 3 | S0K < 0.586 et 3.497 < Chi_D < 9.024 ou 114.497 < MWC05 < 130.397 ou 0.786 < SM5_Dz(Z) |
87.41 | 1403 | 1466 | 1542 | ||
| 4 | 105.06 < MWC03 < 148.71 ou IVDE < 9.437 ou 0.491 < SM2_H2 < 0.501 ou 0.458 < SpPosA_Dt < 0.629 |
86.85 | 1394 | 1457 | 1542 | ||
| 5 | 1.9 < D/Dtr09 < 5.7 ou SpMaxA_X < 4.156 ou 1.163 < VE2_X < 1.221 ou 3.577 < SM2_D/Dt < 3.888 |
86.1 | 1382 | 1537 | 1450 | ||
| 6 | 30.8 < D/Dtr07 < 31.4 ou 0.111 < Vindex < 0.118 ou 1.959 < IC1 ou SpAD_A < 2.3 |
84.29 | 1353 | 1513 | 1445 | ||
| 7 | X% < 0.111 ou 34.0 < D/Dtr07 ou IC1 < 1.43 ou 27.791 < SpPosLog_D/Dt < 37.411 |
80.12 | 1286 | 1575 | 1316 | ||
| 8 | nCIC < 0.0 et 6.153 < IVDE < 8.453 ou 0.061 < Yindex < 0.067 ou 37.672 < TIC1 < 64.963 |
79.23 | 1271 | 1332 | 1543 | ||
| 9 | ou Hyacinth ou Jasmin ou Lilly |
PCR < 10.0 et VR1_X < 2.484 et 0.479 < SM2_H2 < 0.484 |
73.54 | 1173 | 1275 | 1493 | |
| 10 | 7.723 < Sv ou 132.0 < MWC09 < 144.0 ou SM3_L < 1.386 ou 0.204 < SM6_H2 < 0.214 |
73.42 | 1177 | 1213 | 1567 | ||
| 11 | Berry ou Ethereal ou ou Grape |
X% < 0.308 et 1.687 < IC1 < 1.771 |
71.64 | 1132 | 1239 | 1473 | |
| 12 | 30.4 < D/Dtr07 < 32.0 ou 39.636 < SRW02 < 85.152 ou 4214.0 < RDSQ < 5610.0 ou 0.103 < SM5_Dt |
70.21 | 1094 | 1119 | 1533 | ||
| 13 | ou Peachy ou Plum ou Winey |
PHI < 19.858 et 0.121 < VR1_X < 0.173 |
70.02 | 1105 | 1220 | 1463 |
| Code | Description | Catégorie | Sous-catégorie | |
|---|---|---|---|---|
| Vindex | Balaban V index | Information indices | Basic descriptors | |
| PCR | ratio of multiple path count over path coun | Walk and path counts | ID numbers | |
| 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) | |
| IC1 | Information Content index (neighborhood symmetry of 1-order) | Information indices | Indices of neighborhood symmetry | |
| SM3_L | spectral moment of order 3 from Laplace matrix | 2D matrix-based descriptors | Laplace matrix (L) | |
| SM2_H2 | spectral moment of order 2 from reciprocal squared distance matrix | 2D matrix-based descriptors | Reciprocal squared distance matrix (H2) | |
| SM3_Dt | spectral moment of order 3 from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| SpAD_A | spectral absolute deviation from adjacency matrix | 2D matrix-based descriptors | Adjacency matrix (A) | |
| ChiA_Dt | average Randic-like index from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
| SpPosA_Dt | normalized spectral positive sum 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) | |
| PHI | Kier flexibility index | Topological indices | Path/walk indices | |
| Chi_D | Randic-like index from topological distance matrix | 2D matrix-based descriptors | Topological distance matrix (D) | |
| VR3_D | logarithmic Randic-like eigenvector-based index from topological distance matrix | 2D matrix-based descriptors | Topological distance matrix (D) | |
| 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) | |
| SM2_D/Dt | spectral moment of order 2 from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| Yindex | Balaban Y index | Information 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)) | |
| MWC09 | molecular walk count of order 9 | Walk and path counts | Walk counts | |
| TIC1 | Total Information Content index (neighborhood symmetry of 1-order) | Information indices | Indices of neighborhood symmetry | |
| MWC05 | molecular walk count of order 5 | Walk and path counts | Walk counts | |
| Sv | sum of atomic van der Waals volumes (scaled on Carbon atom) | Constitutional indices | Basic descriptors | |
| 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 | |
| SpMaxA_X | normalized leading eigenvalue from chi matrix | 2D matrix-based descriptors | Chi matrix (X) | |
| WiA_H2 | average Wiener-like index from reciprocal squared distance matrix | 2D matrix-based descriptors | Reciprocal squared distance matrix (H2) | |
| RDSQ | reciprocal distance sum inverse Randic-like index | Connectivity indices | Randic-like connectivity indices | |
| nCIC | number of rings (cyclomatic number) | Ring descriptors | Basic descriptors | |
| 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) | |
| S0K | Kier symmetry index | Information indices | Basic descriptors | |
| SpPosLog_D/Dt | logarithmic spectral positive sum from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
| D/Dtr09 | distance/detour ring index of order 9 | Ring descriptors | Basic descriptors | |
| D/Dtr07 | distance/detour ring index of order 7 | Ring descriptors | Basic descriptors |