On network construction and module detection for molecular graph of titanium dioxide

J Biomol Struct Dyn. 2023 Dec;41(20):10591-10603. doi: 10.1080/07391102.2022.2155703. Epub 2022 Dec 15.

Abstract

Titanium dioxide is the most common and valuable oxide among four types of oxides of titanium. Its physicochemical properties make it a very valuable compound. The main objective of this article is to initially detect the modules based on highly connected links of the network of the degree-based topological indices. This information is lately integrated with different physical properties of the chemical compound of titanium dioxide to develop different mathematical frameworks based on master regulatory indices of the modules. This connection can be helpful in studying the physical measures at a deeper level in the form of different degree based topological indices.Communicated by Ramaswamy H. Sarma.

Keywords: Chemical compound; MATLAB; RStudio; curve fitting; entropy; heat of formation; hierarchical clustering; mathematical models; network; titanium dioxide.

MeSH terms

  • Oxides*
  • Titanium* / chemistry

Substances

  • titanium dioxide
  • Titanium
  • Oxides