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News/Reversible Deep Learning for 13C NMR in Chemoinformatics: On Structures and Spectra
arxiv
PublishedApril 24, 2026 at 4:00 AM
—neutral

Reversible Deep Learning for 13C NMR in Chemoinformatics: On Structures and Spectra

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arXiv:2602.03875v4 Announce Type: replace-cross Abstract: We introduce a reversible deep learning model for 13C NMR that uses a single conditional invertible neural network for both directions between molecular structures and spectra. The network is built from i-RevNet style bijective blocks, so the

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