Kern Lab website
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Updated
Jul 12, 2024 - HTML
Kern Lab website
Ontology developement of the CHEMeDATA initiative
the Gifa v4 program - in an effort to revive the program.
NMR spectroscopy software for line shape fitting and downstream analysis
Statistical model(s) for the prediction of NMR one-bond proton-carbon coupling constants to aid in computer assisted structure elucidation. The models are based on quantitative structure property descriptors calculated from mined literature data. Predictions were benchmarked against one-bond proton-carbon values computed via a quantum-mechanical…
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