Pregledni rad

The Zagreb Indices 30 Years After

Sonja Nikolić orcid.org/0000-0003-3203-040X ; The Rugjer Bošković Institute, P. O. Box 180, HR-10002 Zagreb, Croatia
Goran Kovačević orcid.org/0000-0002-3049-4182 ; The Rugjer Bošković Institute, P. O. Box 180, HR-10002 Zagreb, Croatia
Ante Miličević ; The Rugjer Bošković Institute, P. O. Box 180, HR-10002 Zagreb, Croatia
Nenad Trinajstić ; The Rugjer Bošković Institute, P. O. Box 180, HR-10002 Zagreb, Croatia

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 C₃–C₈ 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 M₂ index.

Ključne riječi

connectivity indices; molecular graphs; QSPR; Zagreb indices

Hrčak ID:

103086

URI

https://hrcak.srce.hr/103086

Datum izdavanja:

30.6.2003.

Posjeta: 3.875 *