Quotient of quotient graph a novel approach to compute π‐conjugated dendrimer and predict its properties

Abstract

AbstractThe role of dendrimers is getting updated and grabbing immense attention in many fields. Dendrimers are used in a broad spectrum, in specific, it is widely utilized in drug delivery, for targeted carrier and specific action. Also, in drug catalysis, it improves the solubility of poorly soluble drugs and increases the stability of active ingredients within the cores. Many researchers are interested in developing new dendrimers by using various compounds. ‐conjugated dendrimers via truxenes and thienylethynylene units, are considered a promising material in the field of medicinal chemistry, bio‐organic, and environmental sciences. In QSAR/QSPR, the structural analysis of chemical compounds is examined by topological descriptors. In this article, the various distance‐based topological indices such as Wiener, Szeged, and Mostar of gradient star‐persistent ‐conjugated dendrimers are determined. Since gradient star‐persistent ‐conjugated dendrimers have odd cycles, the usual cut method is not applicable, therefore we use a new concept, the quotient of quotient graph to determine the numerical expression of various indices. An analysis of linear regression reveals that degree‐based topological descriptors predict better physicochemical properties.