Polycyclic aromatic compounds · 2021 · 18 citations · 13 references
Natural SciencesChemistryComputer ScienceComputational ChemistryDrug DesignDrug DiscoveryChemical Space ExplorationMetric GeometryMolecular StructureFault-tolerant DesignHexagonal ArchitectureMolecular Graph Representation
In chemistry, customary depiction for the structure of chemical compounds are graphs where the vertices and edges represents the atoms and bonds types, respectively. Resolving set ℵ is an ordered subset of vertices of a graph G, in which each vertex of G is distinctively determined by its distance to the vertices in ℵ. The cardinality of a minimum resolving set is called the metric dimension of G. A resolving set ℵf of G is fault-tolerant if ℵf∖v is also a resolving set, for every v in ℵf. Resolving set allows to obtain a unique representation for chemical structures. In particular, they were used in pharmaceutical research for discovering patterns common to a variety of drugs. In this paper we determine the exact metric and fault tolerant metric dimension of cyclic hexagonal square chain, linear phenylene, and linear heptagons structure.
13
Resolvability in graphs and the metric dimension of a graph
Gary Chartrand, Linda Eroh, Mark A. Johnson et al. · Discrete Applied Mathematics · 2000 · 982 citations
Samir Khuller, Balaji Raghavachari, Azriel Rosenfeld · Discrete Applied Mathematics · 1996 · 808 citations
On Metric Generators of Graphs
András Sebö, Éric Tannier · Mathematics of Operations Research · 2004 · 509 citations