University of KashanIranian Journal of Mathematical Chemistry2228-648910420191201QSPR Analysis with Curvilinear Regression Modeling and Topological Indices33134110251410.22052/ijmc.2019.191865.1448ENOzge ColakogluHavareMersin UniversityJournal Article20190628Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative Structure-Property Relationship) models were designed using the Gutman index, the product connectivity Banhatti index, the Variance of degree index, and the Sigma index to predict the thermodynamic properties of monocarboxylic acids. The relationship analyses between the thermodynamic properties and the topological indices were done by using the curvilinear regression method. It is used with the linear, quadratic and cubic equations of the curvilinear regression model. These regression models were then compared.https://ijmc.kashanu.ac.ir/article_102514_07ce16949e9353fa46630d934daf4926.pdf