Naslov (eng)

Chemical applicability of Sombor indices

Autor

Redžepović, Izudin

Opis (eng)

Abstract: Recently, a novel class of degree-based topological molecular descriptors was proposed, the so-called Sombor indices. Within this study, the predictive and discriminative potentials of the Sombor index, the reduced Sombor index, and the average Sombor index were examined. All three topological molecular descriptors showed good predictive potential. The statistical data indicate that the reduced Sombor index preforms with a slightly better predictive potential. An external validation confirmed this finding. It was found that these degree-based indices exert modest discriminative potential, when tested on a large group of isomers.

Jezik

engleski

Datum

2021

Licenca

Ovo delo je licencirano pod uslovima licence
Creative Commons CC BY-NC-ND 4.0 - Creative Commons Autorstvo - Nekomercijalno - Bez prerada 4.0 International License.

http://creativecommons.org/licenses/by-nc-nd/4.0/legalcode

Predmet

Keywords:graph invariants, molecular descriptors, degree of a vertex, physicochemical properties, predictive models, discriminative potential

Deo kolekcije (1)

o:28516

Radovi nastavnika i saradnika Državnog univerziteta u Novom Pazaru