Table 2 List of molecular descriptors
From: Diverse models for anti-HIV activity of purine nucleoside analogs
Code | Name of descriptor |
|---|---|
A1 | Eccentricity index, ECC |
A2 | Spherocity index, SPH |
A3 | Molecular connectivity topochemical index, χ A |
A4 | Shape profile no. 20, SP20 |
A5 | Shape profile no. 07, SP07 |
A6 | Shape profile no. 08, SP08 |
A7 | Eccentric adjacency topochemical index |
A8 | Radial distribution function - 10.5/weighted by atomic masses, RDF105m |
A9 | Second Zagreb index M2, ZM2 |
A10 | Augmented eccentric connectivity topochemical index, A ξ c |
A11 | Mean information content on the distance magnitude, IDM |
A12 | Molecular profile no. 10, DP10 |
A13 | Molecular profile no. 11, DP11 |
A14 | Molecular profile no. 12, DP12 |
A15 | Molecular profile no. 13, DP13 |
A16 | Molecular profile no. 14, DP14 |
A17 | Radius of gyration (mass weighted), RGyr |
A18 | Eccentric connectivity topochemical index, ξ c |
A19 | Connective eccentricity topochemical index, C ξ |
A20 | Average vertex distance degree, VDA |
A21 | Mean square distance index (Balaban), MSD |
A22 | Schultz molecular topological index, SMTI |
A23 | Superaugmented pendentic topochemical index-4, SA ∫ P-4c |
A24 | Gutman MTI by valence vertex degrees, GMTIV |
A25 | Xu index, Xu |
A26 | Mean Wiener index, WA |
A27 | Superadjacency topochemical index, ∫ AC(G) |
A28 | Harary H index, Har |
A29 | Quasi-Wiener index (Kirchhoff number), QW |
A30 | First Mohar index, TI1 |
A31 | Weiner’s topochemical index, W c |
A32 | Reciprocal hyper-detour index, Rww |
A33 | Distance/detour index, D/D |
A34 | All-path Wiener index, Wap |
A35 | Superaugmented eccentric connectivity topochemical index-3, SAc ξ c 3 |
A36 | Wiener-type index from Z-weighted distance matrix (Barysz matrix), WhetZ |
A37 | Balaban-type index from Z-weighted distance matrix (Barysz matrix), JhetZ |
A38 | Maximal electrotopological negative variation, MAXDN |
A39 | Molecular electrotopological variation, DELS |
A40 | Superaugmented eccentric connectivity topochemical index-4, SAc ξ c 4 |
A41 | Three-path Kier alpha-modified shape index, S3K |
A42 | Centralization, CENT |
A43 | Distance/detour ring index of order 9, D/Dr09 |
A44 | Molecular connectivity index, χ |
A45 | Eigenvalue 11 from edge adjacency matrix weighted by resonance integrals, EEig11r |
A46 | Average geometric distance degree, AGDD |
A47 | Absolute eigenvalue sum on geometry matrix, SEig |
A48 | Eccentric adjacency index, ξ Α |
A49 | 3D-MoRSE - signal 26/unweighted, Mor26u |
A50 | 3D-MoRSE - signal 25/weighted by atomic Sanderson electronegativities, Mor25e |
A51 | Augmented eccentric connectivity index, A ξ c |
A52 | First component size directional WHIM index/unweighted, L1u |
A53 | K global shape index/weighted by atomic Sanderson electronegativities, Ke |
A54 | Superpendentic index, ∫P |
A55 | Mean information content on the leverage magnitude, HIC |
A56 | H total index/weighted by atomic van der Waals volumes, HTv |
A57 | R maximal autocorrelation of lag 1/weighted by atomic Sanderson electronegativities, R1e+ |
A58 | R total index/weighted by atomic polarizabilities, RTp |
A59 | Superaugmented eccentric connectivity index-1, SA ξ c 1 |
A60 | Weiner’s index, W |