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5.591  Articles
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Drug discovery is mainly the result of chance discovery and massive screening of large corporate libraries of synthesized or naturally-occurring compounds. Computer aided drug design is an approach to rational drug design made possible by the recent advan... see more

Distance is an important graph invariant that has wide applications in computing science and other fields of sciences. A topological index is a genuine number connected with compound constitution indicating for relationship of compound structure with diff... see more

Among the degree based topological indices which are mostly used in the study of chemical graph theory, the Zagreb index plays a prominent role in the study of therapies and treatments. There were different versions of the Zagreb indices defined in the li... see more

Dutch windmill graph [1, 2] and denoted by Dnm. Order and size of Dutch windmill graph are (n-1)m+1 and mn respectively. In this paper, we computed certain topological indices and polynomials i.e. Zagreb polynomials, hyper Zagreb, Redefined Zagr... see more

We find the extremal values of the energy, the Wiener index and several vertex-degree-based topological indices over the set of Kragujevac trees with the central vertex of fixed degree.

Two graphs having the same number of vertices connected in the same way are said to be isomorphic. Topological matrices representing such graphs will have the same eigen value spectrum. Hence isomorphic graphs are also known as co spectral or iso spectral... see more

In this paper, we obtain the exact formulae for some topological indices such as the general sum-connectivity index, atom-bond connectivity index, geometric arithmetic index, inverse sum indeg index, symmetric division deg index and harmonic polynomial of... see more

It is revealed from the previous studies that there is a strong relation between the chemical characteristic of a chemical compound and its molecular structure. Topological indices defined on the molecular structure of biomolecules can help to gain a bett... see more

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