Adaptive Neuro-fuzzy Inference System (ANFIS) remains one of the promising AI techniques to handle data over-fitting and as well, improves generalization. Presently, many ANFIS optimization techniques have been synergized and found effective at some points through trial and error procedures. In this work, we tune ANFIS using Grid partition algorithm to handle unseen data effectively with fast convergence. This model is initialized using a careful selection of effective parameters that discriminate climate conditions; minimum temperature, maximum temperature, average temperature, wind speed and relative humidity. These parameters are used as inputs for ANFIS, whereas confirmed cases of COVID-19 is chosen as dependent values for two consecutive months and first ten days of December for new COVID-19 confirmed cases according to the Department of disease control (DDC) Thailand. The proposed ANFIS model provides outstanding achievement to predict confirmed cases of COVID-19 with R 2 of 0.99. Furthermore, data set trend analysis is done to compare fluctuations of daily climatic parameters, to satisfy our proposition, and illustrates the serious effect of these parameters on COVID-19 epidemic virus spread.
Inspired by the large number of applications for symmetric nonlinear equations, this article will suggest two optimal choices for the modified Polak–Ribiére–Polyak (PRP) conjugate gradient (CG) method by minimizing the measure function of the search direction matrix and combining the proposed direction with the default Newton direction. In addition, the corresponding PRP parameters are incorporated with the Li and Fukushima approximate gradient to propose two robust CG-type algorithms for finding solutions for large-scale systems of symmetric nonlinear equations. We have also demonstrated the global convergence of the suggested algorithms using some classical assumptions. Finally, we demonstrated the numerical advantages of the proposed algorithms compared to some of the existing methods for nonlinear symmetric equations.
Severe acute respiratory syndrome coronavirus 2 (SARS-CoV-2) was found to be a severe threat to global public health in late 2019. Nevertheless, no approved medicines have been found to inhibit the virus effectively. Anti-malarial and antiviral medicines have been reported to target the SARS-CoV-2 virus. This paper chose eight natural eucalyptus compounds to study their binding interactions with the SARS-CoV-2 main protease (Mpro) to assess their potential for becoming herbal drugs for the new SARS-CoV-2 infection virus. In-silico methods such as molecular docking, molecular dynamics (MD) simulations, and Molecular Mechanics Poisson Boltzmann Surface Area (MM/PBSA) analysis were used to examine interactions at the atomistic level. The results of molecular docking indicate that Mpro has good binding energy for all compounds studied. Three docked compounds, α-gurjunene, aromadendrene, and allo-aromadendrene, with highest binding energies of −7.34 kcal/mol (−30.75 kJ/mol), −7.23 kcal/mol (−30.25 kJ/mol), and −7.17 kcal/mol (−29.99 kJ/mol) respectively, were simulated with GROningen MAchine for Chemical Simulations (GROMACS) to measure the molecular interactions between Mpro and inhibitors in detail. Our MD simulation results show that α-gurjunene has the strongest binding energy of −20.37 kcal/mol (−85.21 kJ/mol), followed by aromadendrene with −18.99 kcal/mol (−79.45 kJ/mol), and finally allo-aromadendrene with −17.91 kcal/mol (−74.95 kJ/mol). The findings indicate that eucalyptus may be used to inhibit the Mpro enzyme as a drug candidate. This is the first computational analysis that gives an insight into the potential role of structural flexibility during interactions with eucalyptus compounds. It also sheds light on the structural design of new herbal medicinal products against Mpro.
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