Naslov
The Zagreb indices 30 years after

Autori
Nikolić, Sonja ; Kovačević, Goran ; Miličević, Ante ; Trinajstić, Nenad

Izvornik
Croatica chemica acta (0011-1643) 76 (2003), 2; 113-124

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
connectivity indices; molecular graphs; Qspr; Zagreb indices

Sažetak
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.

Izvorni jezik
Engleski

Znanstvena područja
Kemija

POVEZANOST RADA