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Molecules in silico: potential versus known organic compounds. (English) Zbl 1081.92047

All molecular structures for organic compounds with molecular weight up to 150 are generated by means of a previously designed computer program MOLGEN. It is found that the majority of so generated structures do not correspond to known chemical compounds. In other words: the majority of possible chemical compounds has not yet been prepared in laboratory.

MSC:

92E10 Molecular structure (graph-theoretic methods, methods of differential topology, etc.)
05C90 Applications of graph theory
05C30 Enumeration in graph theory
92E99 Chemistry

Software:

MOLGEN
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