Brief overview of recently reported misassigned natural products and their in silico revisions enabled by DU8ML, a machine learning-augmented DFT computational NMR method
Abstract
article describes a personal selection of recent misassigned structures of natural products and their revision with the aid of DU8ML, a machine learning-augmented DFT computational method for fast and accurate calculations of solution NMR chemical shifts and spin-spin coupling constants.
Fields of Study & Subjects
Molecular spectroscopy and chirality
Advanced NMR Techniques and Applications
Machine Learning in Materials Science
Publication details
- Journal / source
- Natural Product Reports
- Publisher
- Royal Society of Chemistry (RSC)
- Publication date
- 1 January 2026
- Language
- EN