QSPR analysis of physico-chemical and pharmacological properties of medications for Parkinson's treatment utilizing neighborhood degree-based topological descriptors. [PDF]
Sci RepTopological indices are invariant quantitative metrics associated with a molecular graph, which characterize the bonding topology of a molecule. The main aim of analyzing topological indices is to summarize and transform chemical structural information ...
Ravi V, Chidambaram N.
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Computation of domination degree-based topological indices using python and QSPR analysis of physicochemical and ADMET properties for heart disease drugs. [PDF]
Front ChemHeart disease is a leading cause of death worldwide, highlighting the need for effective treatments for hypertension, arrhythmias, and high cholesterol.
Kuriachan G, Parthiban A.
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QSPR analysis of distance-based structural indices for drug compounds in tuberculosis treatment. [PDF]
HeliyonTuberculosis (TB) is one of the most contagious diseases that has a greater mortality rate than HIV/AIDS and the cases of TB are feared to rise as a repercussion of the COVID-19 pandemic.
Arockiaraj M +6 more
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On quantitative structure-property relationship (QSPR) analysis of physicochemical properties and anti-hepatitis prescription drugs using a linear regression model. [PDF]
HeliyonNumerous studies demonstrate a strong intrinsic relationship between the boiling and melting temperatures, among other chemical properties, of chemical compounds and pharmaceutical and their molecular structures.
Mahboob A +4 more
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Molecular temperature descriptors as a novel approach for QSPR analysis of Borophene nanosheets. [PDF]
PLoS OneBorophene nanosheets appear in various sizes and shapes, ranging from simple planar structures to complicated polyhedral formations. Due to their unique chemical, optical, and electrical properties, Borophene nanosheets are theoretically and practically ...
Khan AR +5 more
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Locating and Multiplicative Locating Indices of Graphs with QSPR Analysis [PDF]
Journal of Mathematics, 2021 In this paper, by introducing a new version of locating indices called multiplicative locating indices, we compute exact values of these indices on well-known families of graphs and graphs obtained by some operations. Also, we determine the importance of
Suha Wazzan, Anwar Saleh
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Molecular Determinants of Per- and Polyfluoroalkyl Substances Binding to Estrogen Receptors [PDF]
ToxicsPer- and polyfluoroalkyl substances (PFAS) are environmentally persistent organofluorines linked to cancer, organ dysfunction, and other health problems.
Sahith Mada +6 more
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Degree-Based Topological Indices and QSPR Analysis of Antituberculosis Drugs
Journal of Chemistry, 2022 A topological index of graph G is a numerical quantity which describes its topology. If it is applied to molecular structure of a chemical compounds, then it reflects the theoretical properties of the chemical compounds.
Mr. Adnan +3 more
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On degree-based operators and topological descriptors of molecular graphs and their applications to QSPR analysis of carbon derivatives. [PDF]
Sci RepThis work initiates a concept of reduced reverse degree based RRDM\documentclass[12pt]{minimal} \usepackage{amsmath} \usepackage{wasysym} \usepackage{amsfonts} \usepackage{amssymb} \usepackage{amsbsy} \usepackage{mathrsfs} \usepackage{upgreek} \setlength{
Khan AR +5 more
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QSPR analysis of amino acids for the family of Gourava indices. [PDF]
PLoS OneAmino acids are chemical molecules that act as the building blocks of proteins and perform critical functions in biological processes. Their two main functional groups, an amino group (-NH2) and a carboxyl group (-COOH) as well as a changeable side chain (R group) that controls the unique characteristics of each amino acid are what define them. Because
Sarwar K, Kanwal S, Razzaque A.
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