Related Experiment Video
Updated: Jun 16, 2026

07:18
Natural Product Discovery with LC-MS/MS Diagnostic Fragmentation Filtering: Application for Microcystin Analysis
Published on: May 31, 2019
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Brief overview of recently reported misassigned natural products and their in silico revisions enabled by DU8ML, a
Srinivas Beduru1, Andrei G Kutateladze1
1Department of Chemistry and Biochemistry, University of Denver, Denver, Colorado, 80210, USA. Andrei.Kutateladze@du.edu.
Natural Product Reports
|March 10, 2026
Abstract:
Covering: 2018 to 2025This Highlight 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.

