Anna Tomberg

AstraZeneca (Australia) — Australia

Materials Science · Physical Sciences

12h-index1.1kcitations48works3.52yr avg
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Research Topics

Crystallization and Solubility Studies(17), X-ray Diffraction in Crystallography(17), Computational Drug Discovery Methods(13), Metabolomics and Mass Spectrometry Studies(6), Crystallography and molecular interactions(5)

Publications48 total

Advancing Structure Elucidation with a Flexible Multi‐Spectral AI Model
Angewandte Chemie International Edition·2025· 2 citedOpen Access
Advancing Structure Elucidation with a Flexible Multi‐Spectral AI Model
Angewandte Chemie·2025
Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model
2025· 1 citedOpen Access
Enhancing Molecular Structure Elucidation with Reasoning-Capable LLMs
2025· 3 citedOpen Access
Enhancing Molecular Structure Elucidation: MultiModalTransformer for both simulated and experimental spectra
2024· 7 citedOpen Access
HSQC Spectra Simulation and Matching for Molecular Identification
Journal of Chemical Information and Modeling·2024· 8 cited
HSQC Spectra Simulation and Matching for Molecular Identification
2023· 1 citedOpen Access
HSQC Spectra Simulation and Matching for Molecular Identification
Apollo (University of Cambridge)·2023· 1 citedOpen Access
Reusability report: Learning the language of synthetic methods used in medicinal chemistry
Nature Machine Intelligence·2021· 5 cited
Publisher Correction: Organic reactivity from mechanism to machine learning
Nature Reviews Chemistry·2021· 3 cited
Organic reactivity from mechanism to machine learning
Nature Reviews Chemistry·2021· 173 cited
Can easy chemistry produce complex, diverse, and novel molecules?
Drug Discovery Today·2020· 51 citedOpen Access
Can “Easy” Chemistry Produce Complex, Diverse and Novel Molecules?
2020· 9 citedOpen Access
Can “Easy” Chemistry Produce Complex, Diverse and Novel Molecules?
2020· 5 citedOpen Access
Relative Strength of Common Directing Groups in Palladium-Catalyzed Aromatic C−H Activation
iScience·2019· 52 citedOpen Access
Postdoc perspective: Why we chose to do a postdoc in industry
C&EN Global Enterprise·2019Open Access
A Predictive Tool for Electrophilic Aromatic Substitutions Using Machine Learning
The Journal of Organic Chemistry·2018· 103 cited
Revised Mechanism for a Ruthenium-Catalyzed Coupling of Aldehyde and Terminal Alkyne
ACS Omega·2018· 9 citedOpen Access
Towards virtual biocatalysis: computational methods development for organometallic catalysts and enzyme engineering
eScholarship@McGill (McGill)·2018· 1 cited
Application of Q2MM to predictions in stereoselective synthesis
Chemical Communications·2018· 68 cited
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Frequent Co-authors

Nicolas Moitessier(20), Oleksandr S. Bushuyev(17), Tomislav Friščić(17), Christopher J. Barrett(17), Joanna R. Vinden(10), Jon Paul Janet(9), Martin Priessner(8), Jonathan M. Goodman(8), Magnus J. Johansson(7), Richard J. Lewis(7), Per‐Ola Norrby(5), Joshua Pottel(4), Zhaomin Liu(4), Jonas Boström(4), Isak Lemurell(4), Christian Sköld(3), Paul Labute(3), Kjell Jorner(2), Christoph Bauer(2), Éric Therrien(2)