Using deep learning for automated NMR spectra interpretation

NMR is a powerful and establish analytical method, which still relies on mostly manual interpretation of its spectra. While the simulation of NMR spectra is in the meantime quite accurate there is no pendant for the analysis. Such a capability is particularly interesting as it would allow to include NMR into high throughput processes. We show a deep learning model that is able to automatically interpret 13C NMR spectra with high accuracy.

Contact

Prof. Dr. Christian Kronseder

Team Leader