Molecules in silico: potential versus known organic compounds

zbMATH Open1081.92047MaRDI QIDQ3369102FDOQ3369102

Authors: Adalbert Kerber, Reinhard Laue, Markus Meringer, Christoph Rücker 

Publication date: 13 February 2006

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zbMATH Keywords

generation of molecular formulastructural formula (in chemistry)

Mathematics Subject Classification ID

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

Uses Software

• MOLGEN

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