QSPR analysis on graph energies of chemical graphs

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Veeragoudar Jaishri B.; Patil Shobha V.; Bhadre Bhakti S.

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Journal Paper

Paper Information

Journal: Journal of Medicinal and Pharmaceutical Chemistry Research Year:2023 | Volume:5 | Issue:3 Page(s): 246-263

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Information Journal Paper

Title

QSPR analysis on graph energies of chemical graphs

Author(s)

Veeragoudar Jaishri B. | Patil Shobha V. | Bhadre Bhakti S. | Issue Writer Certificate

Keywords

QSPR-analysis

Octane isomers

Maximum Degree Energy

Minimum Degree Energy

Second Zagreb Energy

Abstract

Chemical graph theory is a bridge between Chemistry and Graph theory. Graph energies are important tools for QSPR researches. Thus, this study aims to relate several energies with the QSPR analysis of 67 alkanes. We compare these results with the Maximum Degree Energy, Minimum Degree Energy, and Second Zagreb Energy. Our study reveals some interesting results based on the predicting power of these graph energies.AMS 2010 codes: 94C15, 92E10.

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