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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.
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.
In the field of cheminformatics, the amalgamation of graph theory, chemistry, along with technology facilitates the establishment of connections between the structural as well as physiochemical attributes of organic compounds by employing certain valuable graph invariants including the corresponding molecular graph. In this work, we examine reverse topological indices, for instance, the reverse Zagreb index, the reverse arithmetic-geometric, the geometric-arithmetic, the reverse Nirmala indices for the bistar graphs B(n;m) , the reverse sum-connectivity index, the reverse Sombor as well as the corona product of Km∘K′n.
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