MAPPING MOLECULES

The indexes (1) polygonality (n = 2E/F) and (2) connectivity (p = 2E/V) and (3) weight (r = averaged atomic number)…..can be used to "map" all the molecules in 3D with coordinates (n, p, r)….but without distinguishing isomers. In such a scheme all bonds would be considered edges, E, so that double, triple and quadruple bonds would contribute 2, 3 and 4 edges to "E" in a graph. Each edge, thus,  joining a vertex would contribute 1 more to the vertex number at the given node in the graph. One could "map" everything this way and develop least squares equations that encode various "families" of molecules like hydrocarbons.