Analyzing boron oxide networks through Shannon entropy and Pearson correlation coefficient

Abstract

Abstract In the current age of chemical science, chemical graph theory has significantly advanced our understanding of the characteristics of chemical compounds. To simulate the mathematical, chemical, and physical aspects of networks, a topological index, a numerical measure obtained from the graph of a chemical network, employed. Recent work has explored the topological properties of boron oxide using chemical graph theory. In this work, we conduct a Pearson correlation analysis of boron oxide to assess the correlations between the Van and S indices and entropy metrics. We analyze the Pearson correlation coefficients between the entropy values and the calculated indices using a heatmap. In this article, a significant positive correlation between the Van, and S indices, and entropy values, which is represented by the heatmap of the strong linear correlations. To avoid duplication, a dimensionality reduction technique should be used for highly connected variables. Additionally, this study gives a detailed explanation of the link between the indices and entropy, which will form the basis of further statistical investigations.

Keywords

• Boron oxide
• Topological indices
• Graph theory
• Shannon entropy
• Pearson correlation coefficient