RelNo | Symbol | Name | References
|
| 1 | ZM1 | first Zagreb index M1 |
Gutman, I., Ruscic, B.,
Trinajstic, N. SWilcox Jr, C.F.
J.
Chem. Phys.,
(1975), 62, 3399-3405.
|
| 2 | ZM1V | first Zagreb index by valence vertex degrees |
| 3 | ZM2 | second Zagreb index M2 |
| 4 | ZM2V | second Zagreb index by valence vertex degrees |
| 5 | Qindex | Quadratic index |
Balaban, A.T.
Theor. Chim. Acta,
(1979), 53, 355-375.
|
| 6 | SNar | Narumi simple topological index (log) |
Narumi, H.
MATCH (Comm. Math. Comp. Chem.),
(1987), 22,195-207.
|
| 7 | HNar | Narumi harmonic topological index |
| 8 | GNar | Narumi geometric topological index |
| 9 | Xt | Total structure connectivity index |
Needham, D.E.Wei, I.C. & Seybold, P.O.
J. Am. Chem. Soc.,
(1988), 110, 4186-4194.
|
| 10 | Dz | Pogliani index |
Pogliani, L. J. Phys. Chem.,
(1996), 100, 18065-18077.
|
| 11 | Ram | ramification index |
Araujo, O. & De La Pena, J.A.
J. Chem. Inf. Comput. Sci.,
(1993), 33, 327-331.
|
| 12 | Pol | polarity number |
Platt.J.R. J. Chem. Phys.,
(1947), 15, 419-420.
|
| 13 | LPRS | log of product of row sums (PRS) |
Schultz, H.P, Schultz, E.B. & Schuttz, T.P.
J. Chem.
Inf. Comput. Sci.,
(1992), 32, 39-72.
|
| 14 | VDA | average vertex distance degree |
E.V.Kostantinova, J. Chem. Inf. Comp. Sci.,
(1997), 38, 54-57.
Skorobogatov,
V.A. and Dobrynin, A.A.
MATCH (Comm. Math. Comp. Chem.),
(1988),
23,105-151.
|
| 15 | MSD | mean square distance index (Balaban) |
Balaban,A.T. Pure & Appl. Chem.,
(1983), 55,199-203.
|
| 16 | SMTI | Schultz Molecular Topological Index (MTI) |
Schuttz,H.P. J. Chem. Inf. Comput. Sci.,
(1989), 29, 227-223.
|
| 17 | SMTIV | Schultz MTI by valence vertex degrees |
| 18 | GMTI | Gutman Molecular Topological Index |
Gutman,I. J. Chem. Inf. Comput. Sci.,
(1994), 34, 1037-1039.
|
| 19 | GMTIV | Gutman MTI by valence vertex degrees |
| 20 | Xu | Xu index |
Ren, B. J.Chem. Inf. Comput. Sci.,
(1999), 39,139-143.
|
| 21 | SPI | superpendentic index |
Gupta, S., Singh. M. & Madan, A.K.
J. Chem. Inf. Comput.
Sci.,
(1999), 39, 272-277.
|
| 22 | W | Wiener W index |
Wiener, H. J. Am. Chem. Soc.,
(1947), 69, 17-20.
|
| 23 | WA | mean Wiener index |
| 24 | Har | Harary H index |
Ivanciuc, O., Balaban, T.-S.
& Balaban, A.T. J. Math.
Chem,
(1993), 12, 309-318.
|
| 25 | Har2 | square reciprocal distance sum index |
| 26 | QW | quasi-Wiener index (Kirchhoff number) |
Mohar, B., Babic, D.& Trinajstic, N.
J. Chem. Inf. Comput.
Sci.,
(1993), 33, 153-154.
|
| 27 | TI1 | first Mohar index TI1 |
Mohar, B. MATH/CHEM/COMP 1988
(Graovac, A, ed.), Elsevier,
Amsterdam (The Netherlands)
|
| 28 | TI2 | second Mohar index TI2 |
| 29 | STN | spanning tree number (log) |
| 30 | HyDp | hyper-distance-path index |
Diudea, M.V. J. Chem. Inf. Comput. Sci.,
(1996), 36, 535-540.
|
| 31 | RHyDp | reciprocal hyper-distance-path index |
Diudea, M.V. J. Chem. Inf. Comput. Sci.,
(1997), 37, 292-299.
|
| 32 | w | detour index |
Amic, D. & Trinajstic, N.
Croat. Chem. Acta, (1995),
68, 53-62.
|
| 33 | ww | hyper-detour index |
Diudea, M.V. J. Chem. Inf. Comput. Sci.,
(1996), 36, 535-540.
|
| 34 | Rww | reciprocal hyper-detour index |
Diudea, M.V. J. Chem. Inf. Comput. Sci.,
(1997), 37, 292-299.
|
| 35 | D/D | distance/detour index |
Randic, M. J. Chem. Inf. Comput. Sci.,
(1997), 37, 1063-1071.
|
| 36 | Wap | all-path Wiener index |
Lukovits, I. J. Chem. Inf. Comput. Sci.,
(1998), 38, 125-129.
|
| 37 | WhetZ | Wiener-type index from Z weighted distance matrix (Barysz matrix) |
Barysz, M., Jashari, G., Lall, R.S.,
Srivastava, A.K. &
Trinajstic, N.
Chemical Applications of Topology
and Graph
Theory (King, R.B., ed.),
Elsevier, Amsterdam (The Netherlands),
(1983), pp. 222-230.
|
| 38 | Whetm | Wiener-type index from mass weighted distance matrix |
| 39 | Whetv | Wiener-type index from van der Waals weighted distance matrix |
| 40 | Whete | Wiener-type index from electronegativity weighted distance matrix |
| 41 | Whetp | Wiener-type index from polarizability weighted distance matrix |
| 42 | J | Balaban distance connectivity index |
Balaban A.T. Chem. Phys. Lett.,
(1982), 89, 399-404.
|
| 43 | JhetZ | Balaban-type index from Z weighted distance matrix (Barysz matrix) |
| 44 | Jhetm | Balaban-type index from mass weighted distance matrix |
| 45 | Jhetv | Balaban-type index from van der Waals weighted distance matrix |
| 46 | Jhete | Balaban-type index from electronegativity weighted distance matrix |
| 47 | Jhetp | Balaban-type index from polarizability weighted distance matrix |
| 48 | MAXDN | maximal electrotopological negative variation |
Gramatica, P., Corradi, M., Consonni, V.
Chemosphere, (2000),
41,783-777.
|
| 49 | MAXDP | maximal electrotopological positive variation |
| 50 | DELS | molecular electrotopological variation |
| 51 | TIE | E-state topological parameter |
Voelkel, A. Computers Chem., (1994), 18, 1-4.
|
| 52 | S0K | Kier symmetry index |
Kier, L.B. Quant. Struct. -Act. Relat.,
(1987), 6, 8-12.
|
| 53 | S1K | 1-path Kier alpha-modified shape index |
Kier, L.B. Quant. Struct. -Act. Relat.,
(1985), 4, 109-116.
|
| 54 | S2K | 2-path Kier alpha-modified shape index |
| 55 | S3K | 3-path Kier alpha-modified shape index |
| 56 | PHI | Kier flexibility index |
Kier, L.B. Quant. Struct. -Act. Relat.,
(1989), 8, 221-224.
|
| 57 | BLI | Kier benzene-likeliness index |
Kier, L.B . & Hall, L.H.
Molecular Connectivity in Structure-Activity
Analysis. RSP-Wlley, Chichester (UK), (1986).
|
| 58 | PW2 | path/walk 2 - Randic shape index |
Randic,M. J. Chem. Inf. Comput. Sci.,
(2001), 41, 607-613.
|
| 59 | PW3 | path/walk 3 - Randic shape index |
| 60 | PW4 | path/walk 4 - Randic shape index |
| 61 | PW5 | path/walk 5 - Randic shape index |
| 62 | PJI2 | 2D Petitjean shape index |
Petitjean, M. J. Chem. Inf. Comput. Sci.,
(1992), 32, 331-337.
|
| 63 | CSI | eccentric connectivity index |
Sharma, V., Goswami, R. & Madan, A.K.
J. Chem. Inf. Comput.
Sci.,
(1997), 37,273-282.
|
| 64 | ECC | eccentricity |
E.V.Kostantinova, J. Chem. Inf. Comp. Sci.,
(1997), 38, 54-57.
Skorobogatov, V.A. and Dobrynin, A.A.
MATCH (Comm. Math.
Comp. Chem.),
(1988), 23,105-151.
|
| 65 | AECC | average eccentricity |
| 66 | DECC | eccentric |
| 67 | MDDD | mean distance degree deviation |
| 68 | UNIP | unipolarity |
| 69 | CENT | centralization |
| 70 | VAR | variation |
Entiger, R.C., Jackson, D.E. and Snyder, D.A.
Czech. Math.
J., (1978), 26, 283-296.
|
| 71 | BAC | Balaban centric index |
Balaban, A.T. Theor. Chim. Acta,
(1979), 53, 355-375.
|
| 72 | Lop | Lopping centric index |
| 73 | ICR | radial centric information index |
Bonchev, D. & Rouvray, D.H. Eds.
Chemical Graph Theory.
Gordon & Breach,
New York (NY), (1991).
Trinajstic,N., Chemical Graph Theory.
CRC Press, Boca Raton
(FL), (1992).
Devillers, J. & Balaban, A.T. Eds.
Topological Indices
and Related Descriptors in
QSAR and Drug Design. Gordon&Breach,
Amsterdam (The Netherlands), (2000).
|
| 74 | D/Dr03 | distance/detour ring index of order 3 |
| 75 | D/Dr04 | distance/detour ring index of order 4 |
| 76 | D/Dr05 | distance/detour ring index of order 5 |
| 77 | D/Dr06 | distance/detour ring index of order 6 |
| 78 | D/Dr07 | distance/detour ring index of order 7 |
| 79 | D/Dr08 | distance/detour ring index of order 8 |
| 80 | D/Dr09 | distance/detour ring index of order 9 |
| 81 | D/Dr10 | distance/detour ring index of order 10 |
| 82 | D/Dr11 | distance/detour ring index of order 11 |
| 83 | D/Dr12 | distance/detour ring index of order 12 |
| 84 | T(N..N) | sum of topological distances between N..N |
| 85 | T(N..O) | sum of topological distances between N..O |
| 86 | T(N..S) | sum of topological distances between N..S |
| 87 | T(N..P) | sum of topological distances between N..P |
| 88 | T(N..F) | sum of topological distances between N..F |
| 89 | T(N..Cl) | sum of topological distances between N..Cl |
| 90 | T(N..Br) | sum of topological distances between N..Br |
| 91 | T(N..I) | sum of topological distances between N..I |
| 92 | T(O..O) | sum of topological distances between O..O |
| 93 | T(O..S) | sum of topological distances between O..S |
| 94 | T(O..P) | sum of topological distances between O..P |
| 95 | T(O..F) | sum of topological distances between O..F |
| 96 | T(O..Cl) | sum of topological distances between O..Cl |
| 97 | T(O..Br) | sum of topological distances between O..Br |
| 98 | T(O..I) | sum of topological distances between O..I |
| 99 | T(S..S) | sum of topological distances between S..S |
| 100 | T(S..P) | sum of topological distances between S..P |
| 101 | T(S..F) | sum of topological distances between S..F |
| 102 | T(S..Cl) | sum of topological distances between S..Cl |
| 103 | T(S..Br) | sum of topological distances between S..Br |
| 104 | T(S..I) | sum of topological distances between S..I |
| 105 | T(P..P) | sum of topological distances between P..P |
| 106 | T(P..F) | sum of topological distances between P..F |
| 107 | T(P..Cl) | sum of topological distances between P..Cl |
| 108 | T(P..Br) | sum of topological distances between P..Br |
| 109 | T(P..I) | sum of topological distances between P..I |
| 110 | T(F..F) | sum of topological distances between F..F |
| 111 | T(F..Cl) | sum of topological distances between F..Cl |
| 112 | T(F..Br) | sum of topological distances between F..Br |
| 113 | T(F..I) | sum of topological distances between F..I |
| 114 | T(Cl..Cl) | sum of topological distances between Cl..Cl |
| 115 | T(Cl..Br) | sum of topological distances between Cl..Br |
| 116 | T(Cl..I) | sum of topological distances between Cl..I |
| 117 | T(Br..Br) | sum of topological distances between Br..Br |
| 118 | T(Br..I) | sum of topological distances between Br..I |
| 119 | T(I..I) | sum of topological distances between I..I |
