Degree-based topological indices on anticancer drugs with QSPR analysis
نویسندگان
چکیده
منابع مشابه
QSPR Analysis with Curvilinear Regression Modeling and Topological Indices
Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...
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Let $G$ be a graph and let $m_{ij}(G)$, $i,jge 1$, be the number of edges $uv$ of $G$ such that ${d_v(G), d_u(G)} = {i,j}$. The {em $M$-polynomial} of $G$ is introduced with $displaystyle{M(G;x,y) = sum_{ile j} m_{ij}(G)x^iy^j}$. It is shown that degree-based topological indices can be routinely computed from the polynomial, thus reducing the problem of their determination in each particular ca...
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let $g$ be a graph and let $m_{ij}(g)$, $i,jge 1$, be the number of edges $uv$ of $g$ such that ${d_v(g), d_u(g)} = {i,j}$. the {em $m$-polynomial} of $g$ is introduced with $displaystyle{m(g;x,y) = sum_{ile j} m_{ij}(g)x^iy^j}$. it is shown that degree-based topological indices can be routinely computed from the polynomial, thus reducing the problem of their determination in each particular ca...
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Let G be a graph and let mij(G), i, j ≥ 1, be the number of edges uv of G such that {dv(G), du(G)} = {i, j}. TheM -polynomial ofG is introduced withM(G;x, y) = ∑ i≤j mij(G)x y . It is shown that degree-based topological indices can be routinely computed from the polynomial, thus reducing the problem of their determination in each particular case to the single problem of determining the M -polyn...
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ژورنال
عنوان ژورنال: Heliyon
سال: 2020
ISSN: 2405-8440
DOI: 10.1016/j.heliyon.2020.e04235