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Let \(G\) be a connected graph with the vertex set \(V\) and edge set \(E\) . A set \(S \subseteq V\) is called an independent dominating set if every vertex in \(V-S\) has an adjacent vertex in \(S\) and no two vertices within \(S\) are adjacent. The cardinality of the minimum independent dominating set of \(G\) is the independent domination number \(i(G)\) . In this article, minimum independent dominating energy \({E}_{ID}\left(G\right)\) for various molecular graphs of drugs such as Acetaminophen, Chloroquine, Ranitidine and Remdesivir are determined. These drugs are used in the treatment of dengue disease. Linear regression is employed in Quantitative Structure–Property Relationship (QSPR) analysis to discuss the physicochemical properties and Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties of these drugs.

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QSPR Graph Model for Physicochemical and ADMET Properties of Antiviral Drugs for Dengue Disease

  • 会议论文

  • 发表日期：

    2025年

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  • S. Thilsath Parveen,
  • Bommahalli Jayaraman Balamurugan

摘要

Let \(G\) be a connected graph with the vertex set \(V\) and edge set \(E\) . A set \(S \subseteq V\) is called an independent dominating set if every vertex in \(V-S\) has an adjacent vertex in \(S\) and no two vertices within \(S\) are adjacent. The cardinality of the minimum independent dominating set of \(G\) is the independent domination number \(i(G)\) . In this article, minimum independent dominating energy \({E}_{ID}\left(G\right)\) for various molecular graphs of drugs such as Acetaminophen, Chloroquine, Ranitidine and Remdesivir are determined. These drugs are used in the treatment of dengue disease. Linear regression is employed in Quantitative Structure–Property Relationship (QSPR) analysis to discuss the physicochemical properties and Absorption, Distribution, Metabolism, Excretion, and Toxicity (ADMET) properties of these drugs.