Heuristics for Macrocycles and Condensed Ring Systems

It should be possible to develop ring design heuristics that can generate clear and aesthetic layouts for even highly condensed ring systems such as cubane. Although there is no substitute for an RTD to lay out and orient traditional systems (steroids), the RTD approach alone is inadequate because the presence of substituents can affect the optimal layout. 

To date these heuristics have not been developed. (Pictures of impressive bridged systems appearing in the literature, if not designed by a human or RTD, and not bicyclo[x.y.O]-type systems, are exceptional structures that happened to come out well.) Probably a recursive or dynamic algorithm, which tests out a number of configurations, will be required, but this remains to be seen. 

Design of macrocycles is also an interesting heuristic challenge. Its best solution will probably involve a fuzzy symmetry algorithm (see below). 

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