期刊
MOLECULES
卷 27, 期 21, 页码 -出版社
MDPI
DOI: 10.3390/molecules27217533
关键词
temperature indices; silicate network; silicate chain network
资金
- National Natural Science Foundation of China [11181003]
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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