QSPR Modeling with Topological Indices of Some Potential Drug Candidates against COVID-19

QSPR Analysis with Curvilinear Regression Modeling and Topological Indices

Topological indices are the real number of a molecular structure obtained via molecular graph G. Topological indices are used for QSPR, QSAR and structural design in chemistry, nanotechnology, and pharmacology. Moreover, physicochemical properties such as the boiling point, the enthalpy of vaporization, and stability can be estimated by QSAR/QSPR models. In this study, the QSPR (Quantitative St...

Therapeutic potential of Paclitaxel against COVID-19

The coronavirus disease-2019(COVID-19) was reported in Wuhan, China, in late December 2019 and soon became the most serious global health challenge due to high rate of human-to-human transmission. The severe acute respiratory syndrome coronavirus 2(SARS-CoV-2), is a single-stranded RNA virus and belongs to the large Coronaviridae family. Paclitaxel, an antineoplastic drug extracted from the Tax...

QSPR study on benzene derivatives to some physico-chemical properties by using topological indices

QSPR study on benzene derivatives have been made using recently introduced topological methodology. In this study the relationship between the Randic' (x'), Balaban (J), Szeged (Sz),Harary (H), Wiener (W), HyperWiener and Wiener Polarity (WP) to the thermal energy (Eth), heat capacity (CV) and entropy (S) of benzene derivatives is represented. Physicochemical properties are taken from the quant...

Some Topological Indices of Nanostar Dendrimers

Wiener index is a topological index based on distance between every pair of vertices in a graph G. It was introduced in 1947 by one of the pioneer of this area e.g, Harold Wiener. In the present paper, by using a new method introduced by klavžar we compute the Wiener and Szeged indices of some nanostar dendrimers.

QSPR Modeling of Heat Capacity, Thermal Energy and Entropy of Aliphatic Aldehydes by using Topological Indices and MLR Method