Topological indices based on vertex, edge, ring, and distance: application to various physicochemical properties of diverse hydrocarbons.
This paper developed the Edge degree-Distance Index (EDI) and Sum of edges (S(e)) based on the edge and distance of molecular graph. This set of topological indices, EDI, S(e) combined with VDI, OEI, and RDI proposed in our previous paper can characterize the molecular structures of diverse hydrocarbons well. The regression analyses against nine physicochemical properties, such as boiling points (Bp), critical properties (Tc, Pc, Vc), heat capacities (Cp), and so on, of 1038 diverse hydrocarbons were investigated, and good correlations were obtained.
Yuan
Hua
H
Department of Chemistry, Xiangtan Normal University, Xiangtan, 411201, People's Republic of China.
Cao
Chenzhong
C