Some Notes on Randić−Razinger's Approach to Characterization of Molecular Shapes
N. S. Zefirov, Serge S. Tratch · Journal of Chemical Information and Computer Sciences · 1997
Several problems related to fundamentals of the recent Randić−Razinger's description of molecular shapes are briefly outlined. An alternative “geometry based” definition of molecular periphery and problems of degeneracy for molecular shape profiles are discussed; two examples of degenerate shape profiles are explicitly presented. It is shown that Randić−Razinger's periphery codes of polybenzenoids may be considered as characteristics of those ring 2D configurations which can be properly embedded on a regular hexagonal lattice.