Dumpling

NMR Analysis

NMR spectroscopy is one of the leading techniques to study structures of macromolecules and to design new drugs in pharmaceutical industry.

We have developed an integrated environment, Dumpling, that incorporates user-friendliness, top features of other packages for NMR data, as well as advanced automation procedures based on AI technologies. In particular, we implemented an innovative inference engine, based on deep neural nets combined with probabilistic reasoning to support users in the most laborious and time-consuming tasks in NMR data analysis, like peak picking, resonance assignment and peak tracking.