A Comparative Study of Fuzzy Cognitive Maps and Neutrosophic Cognitive Maps on Covid Variants

The pandemic situation created by COVID'19 is ridiculous. It has made even the blood relations hide themselves from the infected person. The whole world was stunned by this situation. This is because of the uncertainty in the way in which this disease is spread. As an advancement of this disease, a few other variants like delta, omicron etc. also got spread. It is essential to find a solution to this situation. The variants Omicron and Delta are taken into consideration here. Though both the vibrant colours look alike, the symptoms and prevention methods changes for each of these vibrants. This work aims to make a study of the parameters responsible for these variants. As a result of this study, the parameters involved in the spread of these diseases are identified, and the prevention parameters are concluded. The major benefit of this comparatively study is to identify the parameters that are inconclusive, applying the concepts of fuzzy cognitive maps and neutrosophic cognitive maps is applied to bring out the result © 2023, Neutrosophic Sets and Systems.All Rights Reserved.

Electronic, intermolecular, quantum computational investigations, molecular docking and simulation studies of the potent antiviral drug EIDD-2801

In this work, an analysis has been done to describe the molecular structure, spectroscopic, reduced density gradient, topological properties, atomic charges, Lipinski rule, Natural bond orbital analysis, docking and molecular dynamics simulation of the potent antiviral drug EIDD-2801 in the effective treatment against COVID-19. Intramolecular charge distribution is well understood by three schemes such as AIM, Mulliken and NBO analysis and non-covalent interactions have been understood through reduced density gradient. Topological properties, such as charge density and Laplacian of charge density along with the electron localization function, make it easy to obtain comprehensive information about bond strengths and critical points. The details obtained from the calculation of global reactivity descriptors and Lipinski rule are useful for understanding the nature of molecular reactivity and site selectivity. Electrostatic potentials help to identify potential electrophilic and nucleophilic sites for interaction between EIDD-2801 and target proteins. The molecular docking combined with molecular dynamic simulation studies enables us to get better picture about the ligand-protein interaction.Copyright © 2023 Indian Chemical Society