Sophisticated structure generator for high end structure elucidation.

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Description So-called structure generators or assemblers become more and more popular when it comes to advanced structure elucidation problems. This kind of application is capable of calculating all chemically relevant molecule structures which comply with a user-defined set of rules. The rules or constraints are usually extracted from spectroscopic data. In order to automate that tedious work, too, Upstream will combine a structure generator with some modules capable of automatically deriving the necessary rules from measured spectra.

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