Structural Investigation of Carbon Nanocone Through Topological Coindices

Abstract

Topological descriptors play a significant role in the selection of leading molecules for studies/drug design/research. As these descriptors equip the quantitative structure–activity relationship (QSAR) models with the physical and chemical properties of the compound, they have become alternative for traditional methods of screening the chemical libraries which is expensive and time consuming. The practicality of these descriptors in QSAR models have been largely demonstrated in the studies by various researchers globally. This study focuses on the chemical compound, carbon nanocone, for which nine degree based topological coindices are determined for CNCkp$$ {CNC}_k\left[p\right] $$ such as first Zagreb coindex (M¯1$$ \Big({\overline{M}}_1 $$), second Zagreb coindex (M¯2$$ {\overline{M}}_2 $$), Randic coindex (R¯$$ \overline{R} $$), reciprocal Randic coindex (RR¯$$ \Big(\overline{RR} $$), Forgotten coindex (F¯$$ \overline{F} $$), Atom bond connectivity coindex (ABC¯$$ \overline{ABC} $$), Geometric arithmetic coindex (GA¯$$ \overline{GA} $$), Sombor coindex (SO¯$$ \overline{SO} $$), SS coindex (SS¯$$ \overline{SS} $$). Accordingly, the structure of the nanocone is considered for k=4$$ k=4 $$, 5$$ 5 $$, 6$$ 6 $$, and 7$$ 7 $$ for which numerical comparison is tabulated with respect to the graphs to understand the behavior of the coindices. This subject of study is basically mathematics consisting of various results pertining to a chemical compound it is used in the research of chemistry. As results are equation oriented, the image cannot be designed for the same.