Chemical applicability and computation of K-Banhatti indices for benzenoid hydrocarbons and triazine-based covalent organic frameworks

Abstract

Abstract The novel applications in chemistry include the mathematical models of molecular structure of the compounds which has numerous findings in this area that refers to mathematical chemistry. Topological descriptors play a major role in QSAR/QSPR studies that analyses the biological and physicochemical properties of the compounds. In the recent times, a new type of topological descriptors are proposed, called K-Banhatti indices. In this study the chemical applicability of K-Banhatti indices are examined for benzenoid hydrocarbons (derivatives of benzene). These indices have shown remarkable results through the study of statistical analysis. Subsequently, triazine-based covalent organic frameworks (CoF’s) are studied for which $$B_1(G)$$ B 1 ( G ) , $$B_2(G)$$ B 2 ( G ) , $$HB_1(G)$$ H B 1 ( G ) , $$HB_2(G)$$ H B 2 ( G ) , $${}^mB_1(G)$$ m B 1 ( G ) , $${}^mB_2(G)$$ m B 2 ( G ) , and HB(G) of a graph G are computed.