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◆ Natural Product Reports2026-01-01· Computer science

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.
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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 — 科研速览 Science Skim