Benji Rowlands

Publications

CSP5: Large-scale Neural Chemical Shift Prediction from 2.5 Million Experimental NMR Spectra

JB Rowlands, RJ Lewis, P Howe, JM Goodman

(2026)

Evaluating 2D and 3D graph encoders for infrared-based organic structure verification

JB Rowlands, RJ Lewis, P Howe, JM Goodman

Digital Discovery

(2026)

Towards automatically verifying chemical structures: the powerful combination of <sup>1</sup>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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