Let ζ = (V,E) be a nth order connected graph. If the distance vectors to the vertices in an ordered subset Hr of vertices can uniquely identify each vertex of the graph ζ, then the set Hr is known as resolving set for the graph ζ. The resolving set Hr with smallest cardinality serves as the metric dimension of graph ζ and this resolving set serves as the metric basis for ζ. Since very early times, medicinal drugs have played a significant part in human civilization. In this article, we study the metric dimension for the typical molecular structures of two important drugs namely pibrentasvir (P80) and vancomycin (V101). MSC(2020): 05C10, 05C12, 68R10.
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