An estimation of physicochemical properties of heart attack treatment medicines by using molecular descriptor's

Abstract

A topological index is a numerical quantity associate with a graph describes its topology by applying molecular structure of a chemical compound, we obtain its properties theoretically. The chemical structures of anti-heart attack drugs are investigated and analyzed by using the several degree-based topological indices. Heart attacks, also known as myocardial infarctions, are extremely prevalent in the world. In the QSAR model, degree-based topological indices computed through the edge partitioning approach, while correlation coefficients determined by a linear regression model and line graphs used to compare the correlations. The statistical analysis of various characteristics including boiling point, vapor pressure, enthalpy, flash point, molar refraction, surface tension, and molar volume in anti-heart attack medicines, suggests a strong correlation with topological indices which signify the importance of all computations. All positive correlation values indicate a direct correlation to the molecular descriptors. The characteristics of the anti-heart attack medicines computed by our simple mathematical method are better as compare to experimental values of the heart attack drugs obtained with time-consuming and expensive laboratory experiments.

Keywords

• Heart Attack Drugs
• Topological indices
• QSPR analysis
• Correlation Coefficients