Title of article :
QSPR analysis on graph energies of chemical graphs
Author/Authors :
Veeragoudar ، Jaishri B. Department of Mathematics - KLE Dr. M. S. Sheshgiri College of Engineering and Technology , Patil ، Shobha V. Department of Mathematics - KLE Dr. M. S. Sheshgiri College of Engineering and Technology , Bhadre ، Bhakti S. Department of Mathematics - S. G. Balekundri Institute of Technology
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.
Keywords :
QSPR , analysis , Octane isomers , Maximum Degree Energy , Minimum Degree Energy , Second Zagreb Energy
Journal title :
Eurasian Chemical Communications
Journal title :
Eurasian Chemical Communications
