Abstract
The molecular descriptor is the conclusive outcome of a numerical strategy that changes compound data encoded inside an emblematic portrayal of a particle into a helpful number. The structure-based examinations uncovered that there was a strong relationship between topological structures and their physical practices, synthetic characteristics, and natural features. Such an auxiliary descriptor has been utilized successfully for a superior comprehension of sub-atomic structures. In this current examination, the atomic portrayal of three significant classes of polycyclic aromatic hydrocarbons such as hexa-peri-hexabenzocoronene, hexa-cata-hexabenzocoronene, and dodeca-benzo-circumcoronene are taken in a non-experimental graph-theoretic strategy which produces the numerical structural quantities of considered compounds.
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