Brief overview of recently reported misassigned natural products and their <i>in silico</i> revisions enabled by DU8ML, a machine learning-augmented DFT computational NMR method
Srinivas Beduru, Andrei G. Kutateladze
原始摘要(英文原文)· Original 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.