Abstract

Chemical graph theory is an extension of mathematical chemistry that explores chemical phenomena and entities using the conceptual frameworks of graph theory. In particular, chemical graphs are used to represent molecular structures in chemical graph theory. Edges and vertices in this chemical graph substitute for bonds and atoms, respectively. The primary data types used throughout cheminformatics to depict chemical structures are chemical graphs. The basis for (quantitative) structure-property and structure-activity predictions, a central area of cheminformatics, is laid by the computable properties of graphs. The physical characteristics of molecules are thus reflected in these graphs, which can subsequently be reduced to graph-theoretical indices or descriptors. The resolving set Z , which distinguish every pair of distinct vertices in a connected simple graph, is one of the most well-studied distance-based graph descriptors. In this manuscript, we consider the most significant variation of a metric dimension known as partition dimension and determine it for the molecular complex graph of one-pentagonal carbon nanocone (PCN). We demonstrate that all of the vertices and edges in PCN can be uniquely identified only by considering three distinct non-neighboring partition sets (minimal requirement) from PCN.

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