# | Qualités | Propriétés physico-chimiques | Score (en %) | Support | Support qualités | Support propriétés | |
---|---|---|---|---|---|---|---|
1 | 27.439 < MWC01 et 0.261 < SpPosA_Dt |
87.32 | 1398 | 1545 | 1454 | ||
2 | GNar < 0.308 et SpPos_Dz(Z) < 1.661 |
84.58 | 1355 | 1466 | 1491 | ||
3 | IDET < 10.461 | 84.23 | 1352 | 1457 | 1500 | ||
4 | SM5_Dt < 0.071 | 79.93 | 1283 | 1576 | 1312 | ||
5 | SpMaxA_X < 4.156 | 78.44 | 1259 | 1537 | 1327 | ||
6 | ZM2V < 1.0 et CID < 2.879 et HyWi_Dt < 5.881 et 0.93 < SM5_Dz(Z) < 1.034 |
76.47 | 1216 | 1332 | 1474 | ||
7 | X0v < 7.923 et X2v < 1.476 |
73.79 | 1180 | 1513 | 1266 | ||
8 | PCR < 10.0 et VR1_X < 2.484 et 0.479 < SM2_H2 < 0.484 |
71.04 | 1124 | 1213 | 1493 | ||
9 | X% < 0.196 | 69.96 | 1123 | 1575 | 1153 | ||
10 | X% < 0.308 et nR03 < 5.0 et PHI < 19.858 et 1.687 < IC1 < 1.771 |
67.36 | 1036 | 1119 | 1455 | ||
11 | Musk | 0.208 < X2v < 0.975 et 9.59 < SIC3 < 12.964 et 7.823 < SpAD_D/Dt < 8.877 |
45.28 | 24 | 52 | 25 | |
12 | Pineapple | 1.711 < IC1 < 1.772 et 9.061 < IC5 < 12.316 et 1.028 < VE2_X < 1.053 et 0.069 < SM3_Dt < 0.124 |
43.75 | 28 | 52 | 40 | |
13 | 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 |
40.47 | 17 | 29 | 30 | |
14 | 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 |
39.77 | 35 | 63 | 60 | |
15 | Vanilin | 0.075 < Yindex et 1.267 < VE2_X < 1.292 et 0.474 < SM2_H2 < 0.489 et 1.273 < VE2_D/Dt < 1.491 |
32.69 | 17 | 26 | 43 | |
16 | Camphor et |
X% < 0.073 et 0.571 < GNar < 0.8 et 0.348 < HDcpx et 0.073 < SM3_Dt < 0.094 |
28.57 | 20 | 63 | 27 | |
17 | Gassy | D/Dtr09 < 4.2 et 0.893 < IVDE < 6.196 et 0.983 < IC5 < 2.889 et 3.801 < SIC1 < 9.253 |
28.33 | 17 | 47 | 30 | |
18 | 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 |
28.33 | 17 | 24 | 53 | |
19 | Animal | 41.7 < D/Dtr05 et 3.7 < D/Dtr09 < 8.3 et X2v < 0.786 et -0.004 < SIC5 |
27.41 | 17 | 51 | 28 | |
20 | Caramelic | ZM1Mad < 7.0 et ON0V = 5.0 et 1.099 < SpPos_X < 3.944 et 1.313 < VE2_D/Dt |
27.14 | 19 | 55 | 34 | |
21 | Honey | 1.798 < IC1 < 2.061 et 4.15 < SpMaxA_X < 4.706 et 0.201 < SM6_H2 < 0.226 et 0.138 < VE2_H2 < 0.153 |
27.02 | 20 | 56 | 38 | |
22 | Sour | 0.071 < X% < 0.281 et 18.0 < IAC < 448.0 et 0.2 < HDcpx < 0.305 et 2.132 < IC1 < 3.046 |
26.15 | 17 | 25 | 57 | |
23 | Anisic | 0.472 < IC1 < 1.158 et 0.479 < IC3 < 1.967 et 1.166 < VR1_X < 2.367 et 24.706 < J_D/Dt < 40.1 |
26.15 | 17 | 30 | 52 | |
24 | Minty | IAC < 760.0 et 7.899 < SIC1 < 8.521 et EE_Dt < 0.167 et 5.016 < VE3_Dt < 5.109 |
25.67 | 19 | 71 | 22 | |
25 | Apple | 30.4 < D/Dtr07 < 31.4 et 1.48 < IC1 < 1.757 et 1.82 < IC3 < 4.077 et 0.048 < SM5_Dt < 0.077 |
25.35 | 18 | 56 | 33 | |
26 | Citrus | 40.997 < SRW04 < 50.0 et 2.508 < IC5 < 8.804 et 1.386 < SpPosLog_X et 46.85 < SpPosLog_D/Dt < 47.528 |
24.69 | 20 | 78 | 23 | |
27 | Medicinal | NRS < 0.0 et 0.549 < S0K < 0.599 et 0.333 < HDcpx < 0.352 et 2.135 < SpAD_Dz(Z) < 2.476 |
24.63 | 17 | 41 | 45 | |
28 | Hyacinth | 0.063 < X% et 4.219 < J_X < 4.394 et Ho_X < 3.976 et 0.034 < SM5_Dt < 0.045 |
24.63 | 17 | 31 | 55 | |
29 | Banana | 85.091 < SRW02 < 119.091 et 1.678 < IC1 < 1.896 et 0.252 < SM6_H2 < 0.26 et 0.036 < SM5_Dt < 0.088 |
24.28 | 17 | 30 | 57 | |
30 | Orange | 2.7 < D/Dtr11 < 5.3 et 1.333 < X2v < 1.79 et 8.769 < IDDE < 10.716 et 19.833 < TIC1 < 53.191 |
23.61 | 17 | 32 | 57 | |
31 | Leafy | X% < 0.25 et SpPos_X < 3.584 et 0.234 < SpMAD_Dt < 0.286 et 0.889 < SM5_Dz(Z) < 0.936 |
22.72 | 20 | 64 | 44 | |
32 | Tobacco | 91.055 < MWC05 < 186.686 et X4 < 2.944 et 2.829 < IC5 < 14.861 et 0.295 < SM4_H2 < 0.336 |
20.23 | 17 | 33 | 68 | |
33 | Buterry | 1.0 < ZM1MulPer < 2.0 et 2.098 < IDET < 6.544 et 0.613 < SpMax_Dt < 0.716 et Chi_D/Dt < 0.667 |
18.68 | 17 | 28 | 80 | |
34 | Ambre | 6.246 < SpMaxA_D/Dt < 7.541 et 2.25 < WiA_Dz(Z) < 3.725 et 0.506 < SM5_Dz(Z) < 0.915 et 1.556 < VR2_Dz(Z) < 2.903 |
17.17 | 17 | 37 | 79 | |
35 | Nut | 2.773 < VR2_L < 3.239 et 0.846 < HyWi_Dt < 1.837 et 2.264 < AVS_D/Dt < 2.611 et 0.379 < SM3_Dz(Z) < 0.552 |
17.0 | 17 | 47 | 70 | |
36 | Earthy | 4.0 < ZM1Mad < 15.0 et 1.367 < IC1 < 1.675 et 18.827 < SM1_Dz(Z) < 32.217 et 2.065 < VR2_Dz(Z) < 2.778 |
16.79 | 22 | 83 | 70 | |
37 | Tarry | X% < 0.1 et 0.545 < S2K et IC3 < 3.462 et 0.04 < SM3_Dt < 0.062 |
14.91 | 17 | 22 | 109 | |
38 | Apricot | 0.107 < X% < 0.283 et 1.684 < IC1 < 1.822 et Ho_X < 3.841 et 0.978 < SpPos_Dz(Z) < 1.384 |
14.39 | 18 | 28 | 115 | |
39 | Berry | 1.245 < CID < 1.343 et 1.187 < SpAD_A < 2.522 et 0.117 < EE_Dt < 0.188 et 0.644 < SM5_Dz(Z) < 1.112 |
14.04 | 17 | 44 | 94 | |
40 | Jasmin | 34.3 < D/Dtr07 < 44.4 et 1.871 < piPC02 < 3.674 et X0v < 7.667 et 0.143 < VE2_H2 < 0.151 |
12.97 | 17 | 29 | 119 |
Code | Description | Catégorie | Sous-catégorie | |
---|---|---|---|---|
SpMax_Dt | leading eigenvalue 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) | |
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) | |
ZM1Mad | first Zagreb index by Madan vertex degrees | Topological indices | Vertex degree-based 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) | |
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 | |
S0K | Kier symmetry index | Information indices | Basic descriptors | |
nR03 | number of 3-membered rings | Ring descriptors | Basic descriptors | |
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)) | |
HDcpx | graph distance complexity index (log function) | 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 | |
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 | |
PHI | Kier flexibility index | Topological indices | Path/walk indices | |
X4 | 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 | |
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 | |
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)) | |
VR2_L | normalized Randic-like eigenvector-based index from Laplace matrix | 2D matrix-based descriptors | Laplace matrix (L) | |
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 | |
MWC05 | molecular walk count of order 5 | Walk and path counts | Walk counts | |
MWC01 | molecular walk count of order 1 | Walk and path counts | Walk counts | |
SpAD_A | spectral absolute deviation from adjacency matrix | 2D matrix-based descriptors | Adjacency matrix (A) | |
piPC02 | molecular multiple path count of order 2 | Walk and path counts | Multiple path counts | |
SpPosA_Dt | normalized spectral positive sum from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
ZM1MulPer | first Zagreb index by multiplicative perturbation vertex degrees | Topological indices | Vertex degree-based indices | |
D/Dtr11 | distance/detour ring index of order 11 | Ring descriptors | Basic descriptors | |
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)) | |
AVS_D/Dt | average vertex sum from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) | |
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 | |
SIC5 | Structural Information Content index (neighborhood symmetry of 5-order) | Information indices | Indices of neighborhood symmetry | |
HyWi_Dt | hyper-Wiener-like index (log function) from detour matrix | 2D matrix-based descriptors | Detour matrix (Dt) | |
SpMaxA_X | normalized leading eigenvalue from chi matrix | 2D matrix-based descriptors | Chi matrix (X) | |
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)) | |
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 | |
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 | |
D/Dtr05 | distance/detour ring index of order 5 | 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) | |
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 | |
SM6_H2 | spectral moment of order 6 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)) | |
SpAD_D/Dt | spectral absolute deviation from distance/detour matrix | 2D matrix-based descriptors | Distance / detour matrix (D/Dt) |