On Relationships of Eigenvalue–Based Topological Molecular Descriptors

Three eigenvalue-based topological molecular descriptors are compared using several datasets of alkanes. Two of them are well-known and frequently employed in various QSPR/QSAR investigations, and third-one is a newly derived whose predictive potential is yet to be proven. The relations among them a...

Full description

Bibliographic Details
Main Authors: Izudin Redžepović, Boris Furtula
Format: Article
Language:English
Published: Slovenian Chemical Society 2020-03-01
Series:Acta Chimica Slovenica
Subjects:
Online Access:https://journals.matheo.si/index.php/ACSi/article/view/5520