Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Title A name given to the resource PHD PhD PhD Thesis Dublin Core The Dublin Core metadata element set is common to all Omeka records, including items, files, and collections. For more information see, http://dublincore.org/documents/dces/. Relation A related resource 61000336 Title A name given to the resource QSRP Studies of Chemical Compunds Using Topological Indices Subject The topic of the resource Mathematics and Statistics Description An account of the resource In this study, we explore the intersection of graph theory and chemistry, focusing on how graph theory s principles can model molecular structures and predict their physiochemical properties. Specifcally, it applies topological indices (mathematical descriptors) derived from the graph-theoretic representation of molecules to establish quantitative structure-property relationships (QSPR) for octane isomers and polychlorobiphenyls. The investigation encompasses 30 topological indices, including the Harary, Wiener, Zagreb, and connectivity indices, and assesses their correlation with key physiochemical properties. Through rigorous analysis, the study successfully develops QSPR models capable of predicting properties like BP, HVAP, DHVAP, HFORM, AcenFac, TSA, and RRT signifcantly advancing newlinethe predictive accuracy of chemical properties. The study of inverse problems about topological indices and QSPR is a testament to the interdisciplinary nature of modern scientifc research, bridging gaps between mathematics, chemistry, and computer science. Inverse problems in graph theory newlinehold a special place due to their capacity to address fundamental questions about the structure and behavior of graphs based on given properties. They are often more complex and challenging than direct problems. The study of inverse problems in our research contributes to the theoretical foundations of chemical graph theory by characterizing trees and unicyclic graphs with specifc topological indices and oand#64256;ering novel insights into the inverse problem for Zagreb indices. The newlineinclusion of Python programs for calculating various topological indices further bridges theoretical chemistry with practical application, highlighting the thesis s newlineaim to enhance both the efciency and accuracy of predicting chemical compound properties. This work not only demonstrates the profound impact of graph theory on chemical informatics but also opens new avenues for research in the feld. Creator An entity primarily responsible for making the resource Anjusha, Asok Source A related resource from which the described resource is derived Author's Submission Publisher An entity responsible for making the resource available Christ(Deemed to be University) Date A point or period of time associated with an event in the lifecycle of the resource 2024-01-01 Contributor An entity responsible for making contributions to the resource Joseph, Varghese Rights Information about rights held in and over the resource Open Access Format The file format, physical medium, or dimensions of the resource PDF Language A language of the resource English Type The nature or genre of the resource PhD Identifier An unambiguous reference to the resource within a given context <a href="http://hdl.handle.net/10603/574689" target="_blank" rel="noreferrer noopener">http://hdl.handle.net/10603/574689</a>