Reference

• Rigel, N.; Li, DW.; Brüschweiler, R.; COLMARppm: A web-server tool for the accurate and rapid prediction of ¹H and ¹³C NMR chemical shifts of organic molecules and metabolites; Anal. Chem; submitted;

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Acknowledgement

This web server and the research that led to it is supported by the National Institutes of Health (Grant R01 GM 066041).
Most chemical shifts in COLMAR database were retrieved from the existing databases listed below, which all allow public access.

• HMDB

• BMRB

• NMRShiftDB

• KEGG