4.6 Article

Connecting SiO4 in Silicate and Silicate Chain Networks to Compute Kulli Temperature Indices

Journal

MOLECULES
Volume 27, Issue 21, Pages -

Publisher

MDPI
DOI: 10.3390/molecules27217533

Keywords

temperature indices; silicate network; silicate chain network

Funding

  1. National Natural Science Foundation of China [11181003]

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The study calculated various topological indices of silicate networks and silicate chain networks, and found that these indices are significantly linked to the physicochemical properties of COVID-19 medicines. This theoretical method may assist chemists and others in the pharmaceutical industry in predicting the properties of compounds.
A topological index is a numerical parameter that is derived mathematically from a graph structure. In chemical graph theory, these indices are used to quantify the chemical properties of chemical compounds. We compute the first and second temperature, hyper temperature indices, the sum connectivity temperature index, the product connectivity temperature index, the reciprocal product connectivity temperature index and the F temperature index of a molecular graph silicate network and silicate chain network. Furthermore, a QSPR study of the key topological indices is provided, and it is demonstrated that these topological indices are substantially linked with the physicochemical features of COVID-19 medicines. This theoretical method to find the temperature indices may help chemists and others in the pharmaceutical industry forecast the properties of silicate networks and silicate chain networks before trying.

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