Yusuf Hamied Department of Chemistry

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)
(doi: 10.26434/chemrxiv.15001823/v1)
Evaluating 2D and 3D graph encoders for infrared-based organic structure verification.
JB Rowlands, RJ Lewis, P Howe, JM Goodman
Digit Discov
(2026)
5
(doi: 10.1039/d6dd00281a)
Towards automatically verifying chemical structures: the powerful combination of 1H NMR and IR spectroscopy.
J Goodman, R Lewis, JB Rowlands, L Jonsson, P Howe, W Czechtizky, T Leek
Chemical Science
(2025)
16
(doi: 10.1039/d5sc06866e)

Research Group

Telephone number

01223 336410 (shared)

Email address

jbr46@cam.ac.uk

College

St John's College
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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