Multilinear-Regression Models Developed by Four Novel Degree-Based Topological Indices in Qspr Analysis

Abstract

This research article aims to propose four novel degree-based topological indices ABI₁index, ABI₂ index, ABI₃ index & ABI₄ index. Further, the values of molecular structures of eighteen structural octane isomers are calculated using these indices. The correlation coefficients of these indices with twelve physical properties are evaluated and employed for QSPR study through multiple linear regression analysis. These properties include entropy(S), acentric factor(A.F), enthalpy of vaporization(HVAP), standard heat of vaporization(DHVAP),boiling point(BP),critical temperature(TC),critical pressure(PC),critical volume(VC), density(D), quadratic mean radius(R²_m), heat of vaporization(-ΔH_f ),heat of formation( -ΔH_v ) of octane isomers.  This paper involves a method called multiple regression, which is a statistical technique that can be used to analyse the relationship between a single dependent variable and several independent variables. In this proposed research work, various topological indices are defined on some structural octane isomers to predict the physical and chemical properties of these compounds through Quantitative Structure-Property Relationships (QSPR).