Degree-Based Topological Indices and QSPR Analysis of Antituberculosis Drugs
Mr. Adnan, Syed Ahtsham Ul Haq Bokhary, Ghulam Abbas, Tanveer Iqbal
Abstract
A topological index of graph <a:math xmlns:a="http://www.w3.org/1998/Math/MathML" id="M1"> <a:mi>G</a:mi> </a:math> is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds, then it reflects the theoretical properties of the chemical compounds. In this paper, well-known degree-based topological indices are applied on chemical structures of antituberculosis drugs. Chemical structure is considered as graph, where elements are taken as vertices and bounds between them are taken as edges. Furthermore, QSPR analysis of the said topological indices are discussed, and it is shown that these topological indices are highly correlated with the physical properties of antituberculosis drugs. This theocratical analysis may help the chemist and people working in pharmaceutical industry to predict properties of antituberculosis drugs without experimenting.