| Popis: |
Topological indices are the numerical descriptor of a molecular structure obtained via molecular graph G. Topological indices are used for studying the properties of molecules such as structure-property relationship (QSPR), structure-activity relationship (QSAR) and structural design in chemistry, nanotechnology, and pharmacology. Its main role is to work as a numerical molecular descriptor in QSAR/QSPR models. Moreover, physicochemical properties such as boiling point, enthalpy of vaporization, and stability could be envisaged by QSAR/QSPR models. In this study, the QSPR (Quantitative Structure Property Relationship) model is designed using the Forgotten topological index, the Forgotten coindex, the max-min Rodeg index, and the inverse sum indeg index to predict the thermodynamic properties of monocarboxylic acids. The relationship analysis between the thermodynamic properties and the topological indices was done by using the multiple linear regression method. |
