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Posts Tagged ‘NMRShiftDB’

ChEBI release 57, now with links to NMRShiftDB

Congratulations to the ChEBI team for publishing ChEBI version 57. ChEBI Release 57 now contains links to NMRShiftDB. Search ChEBI for “caffeine” PuTTY quit command , for example, and you find the link to the carbon NMR spectrum of caffeine on the “automatic XREFs” page of ChEBI, in the “Small Molecules” section. ChEBI now contains […]

NMRShiftDB now with more than 12.000 proton spectra

The number of structures and spectra in NMRShiftDB now exceeds 31.000 and 35.000 puttygen ssh , respectively. The number of proton spectra alone is now 12.934. This is due to NMRShiftDB developer Stefan Kuhn in my group importing a recent donation from our collaborators Reinhard Dunkel and Heinz Kolshorn. Thanks to Heinz and Reinhard for […]