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Entropy Related to K -Banhatti Indices via Valency Based on the Presence of C 6 H 6 in Various Molecules.

Muhammad Usman GhaniFrancis Joseph H CampenaMuhammad Kashif MaqboolJia-Bao LiuSanaullah DehrajMurat CancanFahad M Alharbi
Published in: Molecules (Basel, Switzerland) (2023)
Entropy is a measure of a system's molecular disorder or unpredictability since work is produced by organized molecular motion. Shannon's entropy metric is applied to represent a random graph's variability. Entropy is a thermodynamic function in physics that, based on the variety of possible configurations for molecules to take, describes the randomness and disorder of molecules in a given system or process. Numerous issues in the fields of mathematics, biology, chemical graph theory, organic and inorganic chemistry, and other disciplines are resolved using distance-based entropy. These applications cover quantifying molecules' chemical and electrical structures, signal processing, structural investigations on crystals, and molecular ensembles. In this paper, we look at K -Banhatti entropies using K -Banhatti indices for C6H6 embedded in different chemical networks. Our goal is to investigate the valency-based molecular invariants and K -Banhatti entropies for three chemical networks: the circumnaphthalene (CNBn), the honeycomb (HBn), and the pyrene (PYn). In order to reach conclusions, we apply the method of atom-bond partitioning based on valences, which is an application of spectral graph theory. We obtain the precise values of the first K -Banhatti entropy, the second K -Banhatti entropy, the first hyper K -Banhatti entropy, and the second hyper K -Banhatti entropy for the three chemical networks in the main results and conclusion.
Keyphrases
  • convolutional neural network
  • computed tomography
  • mass spectrometry