Publication: From Spectra to Structure: AI-Powered 31P NMR Interpretation
From Spectra to Structure: AI-Powered 31P NMR Interpretation
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Alberts, M., Hartrampf, N., & Laino, T. (2025). From Spectra to Structure: AI-Powered 31P NMR Interpretation. Analytical Chemistry, 97(29), 15736–15742. https://doi.org/10.1021/acs.analchem.5c01460
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Phosphorus-31 nuclear magnetic resonance (P NMR) spectroscopy is a powerful technique for characterizing phosphorus-containing compounds in diverse chemical environments. However, spectral interpretation remains a time-consuming and expertise-dependent task, relying on reference tables and empirical comparisons. In this study, we introduce a data-driven approach that automates P NMR spectral analysis, providing rapid and accurate predictions of the local phosphorus environments. By leveraging a curated data set of experimental and syn
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Alberts, M., Hartrampf, N., & Laino, T. (2025). From Spectra to Structure: AI-Powered 31P NMR Interpretation. Analytical Chemistry, 97(29), 15736–15742. https://doi.org/10.1021/acs.analchem.5c01460
