Computation of degree based molecular descriptors and entropies coronene fractal structures

Muhammad  Asif Javed; A. Q.   Baig; Mukhtar  Ahmad; Suzila Binti Mohd Kasim; Ibrahim K. Alsulami; Ather Qayyum

doi:10.5269/bspm.76247

Muhammad Asif Javed Department of Mathematics, Institute of Southern Punjab Multan, Pakistan.
A. Q. Baig Department of Mathematics, Institute of Southern Punjab Multan, Pakistan.
Mukhtar Ahmad Khawja Fareed University of Engineering and Information Technology Rahim Yar Khan
Suzila Binti Mohd Kasim Department of Mathematics, Centre of Foundation Studies Universiti Teknologi MARA Cawangan Selangor, Malaysia
Ibrahim K. Alsulami Department of Science, King Abdulaziz Military Academy (KAMA), Riyadh, Saudi Arabia
Ather Qayyum Gulf University Bahrain

Abstract

This study focuses on computing entropy and degree-based molecular descriptors for twodimensional coronene fractal structures at three iterative levels. Key topological indices—including Randic, atom-bond connectivity (ABC4), geometric-arithmetic (GA), Zagreb, and Sanskurti entropy—are calculated. These indices support the analysis of structure–property and structure–activity relationships, aiding in applications such as drug development and QSAR/QSPR modeling.

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