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The generation of graphs representing structural formulas of molecular isomers

✍ Scribed by D. I. Cheremisinov

Publisher
Springer US
Year
1978
Tongue
English
Weight
619 KB
Volume
29
Category
Article
ISSN
0021-9037

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πŸ“œ SIMILAR VOLUMES

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An expert system for the elucidation of the structure of organic compounds (ESESOC) has been developed. The heart of the ESESOC is formed by the structure generator as an integral part, which receives the specific type of information (molecular formula, substructure constraints, etc.) and produces a

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The structure generator MOLGEN produces all the molecular graphs that correspond to a given chemical formula and (optionally) prescribed and forbidden substructures as well as further optional conditions like intervals for possible ring sizes, hybridization of carbon atoms (not completely implemente