Entropy Related to K-Banhatti Indices via Valency Based on the Presence of C6H6 in Various Molecules.

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.

A mathematical model of coronavirus transmission by using the heuristic computing neural networks.

In this study, the nonlinear mathematical model of COVID-19 is investigated by stochastic solver using the scaled conjugate gradient neural networks (SCGNNs). The nonlinear mathematical model of COVID-19 is represented by coupled system of ordinary differential equations and is studied for three different cases of initial conditions with suitable parametric values. This model is studied subject to seven class of human population N(t) and individuals are categorized as: susceptible S(t), exposed E(t), quarantined Q(t), asymptotically diseased IA (t), symptomatic diseased IS (t) and finally the persons removed from COVID-19 and are denoted by R(t). The stochastic numerical computing SCGNNs approach will be used to examine the numerical performance of nonlinear mathematical model of COVID-19. The stochastic SCGNNs approach is based on three factors by using procedure of verification, sample statistics, testing and training. For this purpose, large portion of data is considered, i.e., 70%, 16%, 14% for training, testing and validation, respectively. The efficiency, reliability and authenticity of stochastic numerical SCGNNs approach are analysed graphically in terms of error histograms, mean square error, correlation, regression and finally further endorsed by graphical illustrations for absolute errors in the range of 10-05 to 10-07 for each scenario of the system model.

Some Novel Results Involving Prototypical Computation of Zagreb Polynomials and Indices for SiO4 Embedded in a Chain of Silicates.

A topological index as a graph parameter was obtained mathematically from the graph's topological structure. These indices are useful for measuring the various chemical characteristics of chemical compounds in the chemical graph theory. The number of atoms that surround an atom in the molecular structure of a chemical compound determines its valency. A significant number of valency-based molecular invariants have been proposed, which connect various physicochemical aspects of chemical compounds, such as vapour pressure, stability, elastic energy, and numerous others. Molecules are linked with numerical values in a molecular network, and topological indices are a term for these values. In theoretical chemistry, topological indices are frequently used to simulate the physicochemical characteristics of chemical molecules. Zagreb indices are commonly employed by mathematicians to determine the strain energy, melting point, boiling temperature, distortion, and stability of a chemical compound. The purpose of this study is to look at valency-based molecular invariants for SiO4 embedded in a silicate chain under various conditions. To obtain the outcomes, the approach of atom-bond partitioning according to atom valences was applied by using the application of spectral graph theory, and we obtained different tables of atom-bond partitions of SiO4. We obtained exact values of valency-based molecular invariants, notably the first Zagreb, the second Zagreb, the hyper-Zagreb, the modified Zagreb, the enhanced Zagreb, and the redefined Zagreb (first, second, and third). We also provide a graphical depiction of the results that explains the reliance of topological indices on the specified polynomial structure parameters.