Peter W. A. Howe

AstraZeneca (Brazil) — Brazil

Chemistry · Physical Sciences

14h-index1.1kcitations37works0.62yr avg
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Research Topics

Molecular spectroscopy and chirality(9), Advanced NMR Techniques and Applications(8), NMR spectroscopy and applications(8), Metabolomics and Mass Spectrometry Studies(6), Analytical Chemistry and Chromatography(6)

Publications37 total

Evaluating 2D and 3D Graph Encoders for Infrared-Based Organic Structure Verification
2026Open Access
Data, model and prediction files to accompany "Evaluating 2D and 3D Graph Encoders for Infrared-Based Organic Structure Verification"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Data, model and prediction files to accompany "Evaluating 2D and 3D Graph Encoders for Infrared-Based Organic Structure Verification"
Zenodo (CERN European Organization for Nuclear Research)·2026Open Access
Identification, synthesis and characterization of a unique N-glucuronide of an acid metabolite of camizestrant (AZD9833) in humans
Drug Metabolism and Disposition·2026
Author response for "Towards automatically verifying chemical structures: the powerful combination of <sup>1</sup>H NMR and IR spectroscopy"
2025
Towards automatically verifying chemical structures: the powerful combination of <sup>1</sup> H NMR and IR spectroscopy
Chemical Science·2025· 4 citedOpen Access
Towards automatically verifying chemical structures: the powerful combination of ¹H NMR and IR spectroscopy
2024Open Access
Structural Elucidation of Agrochemicals and Related Derivatives Using Infrared Ion Spectroscopy
Environmental Science & Technology·2022· 12 citedOpen Access
Recent developments in the use of fluorine NMR in synthesis and characterisation
Progress in Nuclear Magnetic Resonance Spectroscopy·2020· 14 cited
Is perfection ever attainable? Strong coupling effects in the Perfect Echo
Magnetic Resonance in Chemistry·2019· 3 cited
Suppression of Protonated Organic Solvents in NMR Spectroscopy Using a Perfect Echo Low-Pass Filtration Pulse Sequence
Analytical Chemistry·2018· 4 cited
Selective diffusion spectroscopy using excitation sculpting
Magnetic Resonance in Chemistry·2015· 12 cited
Sample convection in liquid-state NMR: Why it is always with us, and what we can do about it
Journal of Magnetic Resonance·2014· 92 citedOpen Access
The Potential Utility of Predicted One Bond Carbon-Proton Coupling Constants in the Structure Elucidation of Small Organic Molecules by NMR Spectroscopy
PLoS ONE·2014· 16 citedOpen Access
Rapid pulsing artefacts in pulsed‐field gradient double‐quantum filtered COSY spectra
Magnetic Resonance in Chemistry·2014· 5 cited
Fluorine–proton correlation from isolated trifluoromethyl groups using unresolved <i>J</i>‐couplings
Magnetic Resonance in Chemistry·2012· 1 cited
Combined use of filtered and edited <sup>1</sup>H NMR spectroscopy to detect <sup>13</sup>C‐enriched compounds in complex mixtures
NMR in Biomedicine·2012· 5 cited
Zero-quantum Suppression Methods
Encyclopedia of Magnetic Resonance·2011· 2 cited
High resolution 13C DOSY: The DEPTSE experiment
Journal of Magnetic Resonance·2011· 32 cited
Application of NMR‐based metabolomics to the investigation of salt stress in maize (Zea mays)
Phytochemical Analysis·2010· 125 cited
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Frequent Co-authors

David Neuhaus(5), Gabriele Varani(5), Jonathan M. Goodman(4), Frédéric H.‐T. Allain(3), Stephen T. Hadfield(3), Stephen Hole(3), Paul D. Stanley(3), Lina Jonsson(3), Werngard Czechtizky(3), Tomas Leek(3), Benji Rowlands(3), Kiyoshi Nagai(2), Mathias Nilsson(2), Gareth A. Morris(2), Jane Rowlands(2), Richard J. Lewis(2), J. Clay Goodman(2), Richard Lewis(2), Charles C. Gubser(1), Johanna M. Avis(1)