Litcius/Paper detail

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

Ying-Fang Zhang, Muhammad Usman Ghani, Faisal Sultan, Murat Cancan

2022Molecules18 citationsDOIOpen Access PDF

Abstract

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.

Topics & Concepts

SilicateTopological indexReciprocalIndex (typography)GraphQuantitative structure–activity relationshipTopology (electrical circuits)ThermodynamicsComputer scienceMathematicsMaterials scienceChemistryPhysicsComputational chemistryTheoretical computer scienceCombinatoricsOrganic chemistryMachine learningLinguisticsPhilosophyWorld Wide WebComputational Drug Discovery MethodsGraph theory and applicationsComplex Network Analysis Techniques