This analysis revises incorrect product structures in organic reactions, suggesting effective correction methods.
DU8ML, a fast and accurate machine learning-augmented DFT method for computing NMR spectra, has proven effective for high-throughput revision of misassigned natural products. In this paper, we continue with another important underexplored challenge: revision of incorrect product structures of reported organic reactions, often necessitating correction of reaction mechanisms.
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Beduru et al. (2026) studied this question.
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