Analyzing boron oxide networks through Shannon entropy and Pearson correlation coefficient

Area of Science:

• Chemical Graph Theory
• Computational Chemistry
• Materials Science

Background:

• Chemical graph theory provides numerical measures (topological indices) to understand chemical compound properties.
• Boron oxide's topological properties are increasingly studied using graph theory.

Purpose of the Study:

• To analyze correlations between topological indices (Van and S) and entropy in boron oxide.
• To establish a basis for future statistical investigations into chemical network properties.

Main Methods:

• Pearson correlation analysis was performed on boron oxide data.
• Heatmaps were used to visualize correlations between entropy values and calculated topological indices.

Main Results:

• A significant positive correlation was found between the Van and S indices and entropy values.
• The heatmap visually confirmed strong linear correlations, indicating relationships between these metrics.

Conclusions:

• The study demonstrates a clear link between specific topological indices and entropy in boron oxide.
• Dimensionality reduction is suggested for highly correlated variables to prevent redundancy in future analyses.