Topological Approach for Certain Alkane Structures

https://doi.org/10.46610/JOSME.2022.v08i03.004

Abstract

A numerical descriptor is a mathematical instrument that uses information about the chemical compound's structure to examine and explore a molecule's physicochemical attributes without the need for expensive and time-consuming laboratory tests. It is a true number that contains or provides a great deal of useful information about a chemical substance. Topological indices come in a variety of forms, including degree-based, neighbourhood degree-based, distance-based, and eigen value-based indices. Utilizing indices that correlate with biological activities and other aspects of the respective chemical compounds, property and activity-based models are applied. Numerous topological indices have been constructed taking into account each atom's level of hybridization inside the molecule. We concentrate on some distance-based topological indices of various alkane structures in this work. The proposed topological indices and the QSPR investigation for alkane are also established.