Yazar "Aftab, Muhammad Haroon" seçeneğine göre listele

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    Öğe
    Further study of eccentricity based indices for benzenoid hourglass network
    (Cell Press, 2023) Iqbal, Hifza; Aftab, Muhammad Haroon; Akgul, Ali; Mufti, Zeeshan Saleem; Yaqoob, Iram; Bayram, Mustafa; Riaz, Muhammad Bilal
    Topological Indices are the mathematical estimate related to atomic graph that corresponds biological structure with several real properties and chemical activities. These indices are invariant of graph under graph isomorphism. If top(h1) and top(h2) denotes topological index h1 and h2 respectively then h1 approximately equal h2 which implies that top(h1) = top(h2). In biochemistry, chemical science, nano-medicine, biotechnology and many other science's distance based and eccentricity-connectivity(EC) based topological invariants of a network are beneficial in the study of structure-property relationships and structure-activity relationships. These indices help the chemist and pharmacist to overcome the shortage of laboratory and equipment. In this paper we calculate the formulas of eccentricity-connectivity descriptor(ECD) and their related polynomials, total eccentricity-connectivity(TEC) polynomial, augmented eccentricityconnectivity(AEC) descriptor and further the modified eccentricity-connectivity(MEC) descriptor with their related polynomials for hourglass benzenoid network.
  • [ X ]
    Öğe
    Measuring the energy for the molecular graphs of antiviral agents: Hydroxychloroquine, Chloroquine and Remdesivir
    (Elsevier, 2024) Aftab, Muhammad Haroon; Akgul, Ali; Riaz, Muhammad Bilal; Hussain, Muhammad; Jebreen, Kamel; Kanj, Hassan
    We consider the energy for the molecular graphs of antiviral agents like Hydroxychloroquine, Remdesivir and Chloroquine. These drugs play a vital role in the treatment of COVID-19. Let Gamma(1), Gamma(2) and Gamma(3) be the n-dimensional graphs of the molecular structures of antiviral agents Hydroxychloroquine, Chloroquine and Remdesivir, respectively. We define their energies as E '(Gamma(1)) = Sigma vertical bar lambda(i)'vertical bar, E '(Gamma 2) = Sigma vertical bar lambda(j)'vertical bar and E '(Gamma 3) = Sigma vertical bar lambda(k)'vertical bar, respectively. Where the sets {lambda(1)'(Gamma(1)), lambda(2)'(Gamma(1)), lambda(3)'(Gamma(1)), ..., lambda(n)'(Gamma(1))}, {lambda(1)'(Gamma(2)), lambda(2)'(Gamma(2)), lambda(3)'(Gamma(2)), ..., lambda(n)'(Gamma(2))} and { lambda(1)'(Gamma 3), lambda(2)'(Gamma 3), lambda(3)'(Gamma 3), ..., lambda(n)'(Gamma 3)} depict the eigenvalues for the adjacency matrices of Gamma 1, Gamma 2 and Gamma 3, respectively. We have developed some basic ideas and properties in order to measure the energies for the antiviral agents Hydroxychloroquine, Chloroquine and Remdesivir.