4.3 Article

Different Versions of Atom-Bond Connectivity Indices of Some Molecular Structures: Applied for the Treatment and Prevention of COVID-19

Journal

POLYCYCLIC AROMATIC COMPOUNDS
Volume 42, Issue 6, Pages 3748-+

Publisher

TAYLOR & FRANCIS LTD
DOI: 10.1080/10406638.2021.1872655

Keywords

Chemical graph; molecular descriptor; ABC indices; regression models

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Different versions of the Atom-Bond Connectivity (ABC) indices are utilized in theoretical chemical sciences for statistical analysis of drug molecular structures, aiding chemical and medical scientists in determining the chemical and biological characteristics of drugs. This article focuses on computing and analyzing ABC indices of significant drug molecular structures, specifically in relation to the medicinal and pharmaceutical properties for the Treatment and Prevention of COVID-19.
In theoretical chemical sciences, the different versions of the Atom-Bond Connectivity (ABC) indices are used in the statistical analysis of drug molecular structures which are helpful for chemical and medical scientists to find out the chemical and biological characteristics of drugs. In this article, we compute and analyze the different versions of the ABC indices of some significant molecular structures of drugs which are applied to test the medicinal and pharmaceutical characteristics, such as calculated 50% inhibitory concentration IC50 values and Half maximal effective concentration values for the Treatment and Prevention of COVID-19.

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