2. Topological descriptors
Definition
Relevant Descriptors
Molecular descriptors obtained from molecular graph (usually H-depleted), i.e. 2D-descriptors conformationally independent.
| No. | Descriptor |
| 1 | Kier molecular flexibility index |
| 2 | Average Information content (order 0) |
| 3 | Average Information content (order 1) |
| 4 | Average Information content (order 2) |
| 5 | Information content (order 0) |
| 6 | Information content (order 1) |
| 7 | Information content (order 2) |
| 8 | Average Structural Information content (order 0) |
| 9 | Average Structural Information content (order 1) |
| 10 | Average Structural Information content (order 2) |
| 11 | Structural Information content (order 0) |
| 12 | Structural Information content (order 1) |
| 13 | Structural Information content (order 2) |
| 14 | Average Complementary Information content (order 0) |
| 15 | Average Complementary Information content (order 1) |
| 16 | Average Complementary Information content (order 2) |
| 17 | Complementary Information content (order 0) |
| 18 | Complementary Information content (order 1) |
| 19 | Complementary Information content (order 2) |
| 20 | Average Bonding Information content (order 0) |
| 21 | Average Bonding Information content (order 1) |
| 22 | Average Bonding Information content (order 2) |
| 23 | Bonding Information content (order 0) |
| 24 | Bonding Information content (order 1) |
| 25 | Bonding Information content (order 2) |
| 26 | Balaban index |
| 27 | first Zagreb index M1 |
| 28 | first Zagreb index by valence vertex degrees |
| 29 | second Zagreb index M2 |
| 30 | second Zagreb index by valence vertex degrees |
| 31 | Quadratic index |
| 32 | Narumi simple topological index (log S) |
| 33 | Narumi harmonic topological index (H) |
| 34 | Narumi geometric topological index (G) |
| 35 | Total structure connectivity index |
| 36 | Pogliani index |
| 37 | ramification index |
| 38 | polarity number |
| 39 | log of product of row sums (PRS index) |
| 40 | average vertex distance degree |
| 41 | mean square distance index (Balaban) |
| 42 | Schultz Molecular Topological Index |
| 43 | Schultz Molecular Topological Index by valence vertex degrees |
| 44 | Gutman Molecular Topological Index |
| 45 | Gutman Molecular Topological Index by valence vertex degrees |
| 46 | Xu index |
| 47 | superpendentic index |
| 48 | Wiener W index |
| 49 | mean Wiener index |
| 50 | Harary H index |
| 51 | square reciprocal distance sum index |
| 52 | quasi-Wiener index |
| 53 | first Mohar index TI1 |
| 54 | second Mohar index TI2 |
| 55 | spanning tree number (log) |
| 56 | hyper-distance-path index |
| 57 | reciprocal hyper-distance-path index |
| 58 | detour index |
| 59 | hyper-detour index |
| 60 | reciprocal hyper-detour index |
| 61 | distance/detour index |
| 62 | all-path Wiener index |
| 63 | Wiener-type index (Barysz distance matrix) |
| 64 | Wiener-type index (mass weighted distance matrix) |
| 65 | Wiener-type index (van der Waals weighted distantce matrix) |
| 66 | Wiener-type index (electronegativity weighted distance matrix) |
| 67 | Wiener-type index (polarizability weighted distance matrix) |
| 68 | Balaban distance connectivity index |
| 69 | Balaban-type index (Barysz distance matrix) |
| 70 | Balaban-type index (mass weighted distance matrix) |
| 71 | Balaban-type index (van der Waals weighted distantce matrix) |
| 72 | Balaban-type index (electronegativity weighted distance matrix) |
| 73 | Balaban-type index (polarizability weighted distance matrix) |
| 74 | maximal electrotopological negative variation |
| 75 | maximal electrotopological positive variation |
| 76 | molecular electrotopological variation |
| 77 | elctrotopological state topological parameter |
| 78 | Kier symmetry index |
| 79 | Kier alpha-modified shape index m1 |
| 80 | Kier alpha-modified shape index m2 |
| 81 | Kier alpha-modified shape index m3 |
| 82 | Kier benzene-likeliness index |
| 83 | path/walk shape index m2 |
| 84 | path/walk shape index m3 |
| 85 | path/walk shape index m4 |
| 86 | path/walk shape index m5 |
| 87 | 2D Petitjean shape index |
| 88 | eccentric connectivity index |
| 89 | eccentricity |
| 90 | average eccentricity |
| 91 | eccentric |
| 92 | mean distance degree deviation |
| 93 | unipolarity |
| 94 | centralization |
| 95 | variation |
| 96 | Balaban centric index |
| 97 | Lopping centric information index |
| 98 | radial centric information index |
| 99 | distance/detour ring index (order 3) |
| 100 | distance/detour ring index (order 4) |
| 101 | distance/detour ring index (order 5) |
| 102 | distance/detour ring index (order 6) |
| 103 | distance/detour ring index (order 7) |
| 104 | distance/detour ring index (order 8) |
| 105 | distance/detour ring index (order 9) |
| 106 | distance/detour ring index (order 10) |
| 107 | distance/detour ring index (order 11) |
| 108 | distance/detour ring index (order 12) |
| 109 | sum of topological distances between N..N |
| 110 | sum of topological distances between N..O |
| 111 | sum of topological distances between N..S |
| 112 | sum of topological distances between O..O |
| 113 | sum of topological distances between O..S |
| 114 | sum of topological distances between S..S |
