Quantitative structure-property relationships (QSPR) of valency based topological indices with Covid-19 drugs and application
نویسندگان
چکیده
منابع مشابه
Quantitative Structure-Property Relationship to Predict Quantum Properties of Monocarboxylic Acids By using Topological Indices
Abstract. Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. A graph is a ...
متن کاملQSPR 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...
متن کاملTopological Quantum Similarity Indices Based on Fitted Densities: Theoretical Background and QSPR Application
A novel methodology to derive adjacency matrices for 3-dimensional molecules is presented in this work. These matrices, which are derived from atomic quantum similarity calculations, allow redefining several adjacency matrix-based topological indices, such as Randić, Zagreb or Chi's. The present derivation is built upon a previous work, where a simpler class of density function was used to desc...
متن کاملquantitative structure-property relationship to predict quantum properties of monocarboxylic acids by using topological indices
abstract. topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. graph theory is a delightful playground for the exploration of proof techniques in discrete mathematics and its results have applications in many areas of sciences. a graph is a ...
متن کاملRelationship between topological indices and thermodynamic properties and of the monocarboxylic acids applications in QSPR
Topological indices are the numerical value associated with chemical constitution purporting for correlation of chemical structure with various physical properties, chemical reactivity or biological activity. Graph theory is a delightful playground for the exploration of proof techniques in Discrete Mathematics and its results have applications in many areas of sciences. One of the useful indic...
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ژورنال
عنوان ژورنال: Arabian Journal of Chemistry
سال: 2021
ISSN: 1878-5352
DOI: 10.1016/j.arabjc.2021.103240