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Molecular Properties of Symmetrical Networks Using Topological Polynomials

机译:使用拓扑多项式对称网络的分子特性

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摘要

A numeric quantity that comprehend charac-teristics of molecular graph r of chemical compound is known as topological index.This number is,in fact,invariant with respect to symmetry properties of molecular graph.Many researchers have established,after diverse studies,a parallel between the physico chemical properties like boiling point,stability,similarity,chiral-ity and melting point of chemical species and corresponding chemical graph.These descriptors defined on chemical graphs are extremely helpful for researchers to conduct regression model like QSAR/QSPR and better understand the physical features,complexity of molecules,chemical and biological properties of underlying compound.In this paper,several structure descriptors of vital impor-tance,namely,first,second,modified and augmented Zagreb indices,inverse and general Randic indices,symmetric division,harmonic,inverse sum and forgotten indices of Hex-derived Meshes(networks) of two kinds,namely,HDN1(n) and HDN2(n) are computed and recovered us-ing general approach of topological polynomials.
机译:理解化学化合物的分子图r的Charac-Teristics的数量称为拓扑指标。实际上,相对于分子图的对称性,因此在多元化研究之后建立了不变性的研究人员Physico化学性质如沸点,稳定性,相似性,性化学品种和相应化学图的熔点。这些描述符在化学图中定义的描述符对研究人员来说,进行QSAR / QSPR等回归模型,更好地了解物理特征,分子复杂性,底层化合物的化学和生物学特性。本文,几种结构描述符,即一个重要的强迫性,即第一,第二,修改和增强萨格勒布指数,逆向和一般兰特索引,对称划分,谐波,谐波,计算两种的十六进制衍生网格(网络)的逆和和忘记指标,即HDN1(N)和HDN2(n)是计算的d恢复了拓扑多项式的一般方法。

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