The Zagreb indices 30 years after (CROSBI ID 101169)
Prilog u časopisu | izvorni znanstveni rad | međunarodna recenzija
Podaci o odgovornosti
Nikolić, Sonja ; Kovačević, Goran ; Miličević, Ante ; Trinajstić, Nenad
engleski
The Zagreb indices 30 years after
The original formulation of the Zagreb indices is presented and their relationship to topological indices such as self-returning walks, Platt, Gordon-Scantlebury and connectivity indices is discussed. Their properties are also listed. Modified Zagreb indices are introduced and the Zagreb complexity indices reviewed. Their use in QSPR is illustrated by modeling the structure-boiling point relationship Of C-3-C-8 alkanes using the CROMRsel procedure. The obtained models are in fair agreement with experimental data and are better than many models in the literature. However, in general, the Zagreb indices do not contribute to the best structure-boiling point models of alkanes. Nevertheless, it is interesting to note that the best five-descriptor model that we found in the literature contains the Zagreb M-2 index.
connectivity indices; molecular graphs; Qspr; Zagreb indices
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