Publications

CSP5: Large-scale Neural Chemical Shift Prediction from 2.5 Million Experimental NMR Spectra
JB Rowlands, RJ Lewis, P Howe, JM Goodman
(2026)
Towards automatically verifying chemical structures: the powerful combination of 1 H NMR and IR spectroscopy
J Goodman, R Lewis, JB Rowlands, L Jonsson, P Howe, W Czechtizky, T Leek
Chemical science
(2025)
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Research Group

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