Codes and Molecular Representation

Apparently chemical componnds mnltiply faster than chemists Not long ago there were 5 million compounds registered and today the number approaches 15 million—but to double the human popnlation reqnires more than 20 years. This fast growth of analytical and preparative chemistry has been accompanied by emergence of compounds that have novel strnctnral featnres that have not been anticipated. Often such structurally novel componnds pose novel difficnlties in finding their systematic names. Apparently there is no end to the wealth of combinatorial forms in natnre. Onr inability to cope systematically with snch diversity of stmctnres has resnlted in a proliferation of trivial names in the chemical nomenclature. Moreover, some systematic names not only are difficult to derive, bnt are too cumbersome for practical use. An illustration is the systematic name forbuckminsterfullerene.  

There are several systems of chemical nomenclature outlined in the literature. Generally it is not fully recognized by many chemists that naming of a chemical 

There are still other types of molecular graphs. For example, Herndon and Bertz considered so-called bond graphs. In these graphs one considers CC bonds as the vertices of a graph and connects only those vertices that correspond to incident edges. 

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