{"title":"A quadratic regression model to quantify certain latest corona treatment drug molecules based on coindices of M-polynomial","authors":"Shahid Zaman, Sadaf Rasheed, Ahmed Alamer","doi":"10.1007/s11227-024-06434-w","DOIUrl":null,"url":null,"abstract":"<p>Medical researches encounter time, cost, solubility, and data challenges in new drug development. Within the realm of theory, chemical graph theory plays a crucial role in drug design. The SARS-CoV-2 pandemic prompts urgent exploration of drugs like favipiravir, baricitinib, fluvoxamine, nirmatrelvir, molnupiravir, lopinavir, and remdesivir. Developing effective treatments of COVID-19 is a top priority for health authorities, as they strive to curb the pandemic’s impact on public health and prevent future outbreaks. This article characterized CoM-polynomial and their derivatives to determine the topological characteristics of several antiviral drugs. Using this approach, we examine physicochemical properties with quadratic regression method. The results indicate significant correlation between the investigated topological coindices and the physicochemical properties of potential antiviral medicines.</p>","PeriodicalId":501596,"journal":{"name":"The Journal of Supercomputing","volume":"6 1","pages":""},"PeriodicalIF":0.0000,"publicationDate":"2024-09-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"The Journal of Supercomputing","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1007/s11227-024-06434-w","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 0
Abstract
Medical researches encounter time, cost, solubility, and data challenges in new drug development. Within the realm of theory, chemical graph theory plays a crucial role in drug design. The SARS-CoV-2 pandemic prompts urgent exploration of drugs like favipiravir, baricitinib, fluvoxamine, nirmatrelvir, molnupiravir, lopinavir, and remdesivir. Developing effective treatments of COVID-19 is a top priority for health authorities, as they strive to curb the pandemic’s impact on public health and prevent future outbreaks. This article characterized CoM-polynomial and their derivatives to determine the topological characteristics of several antiviral drugs. Using this approach, we examine physicochemical properties with quadratic regression method. The results indicate significant correlation between the investigated topological coindices and the physicochemical properties of potential antiviral medicines.
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