Professor of Chemistry
We use chemical informatics, computational chemistry, machine learning and AI to investigate molecules and to discover more about their structure, reactivity, analytical data and properties.
(Full list of publications)
Professor Goodman discusses his research
Publications
Advancing Structure Elucidation with a Flexible Multi‐Spectral AI Model
Angew Chem Int Ed Engl
(2025)
e17611
(doi: 10.1002/anie.202517611)
Towards automatically verifying chemical structures: the powerful combination of 1 H NMR and IR spectroscopy
Chem Sci
(2025)
16
21590
(doi: 10.1039/d5sc06866e)
Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market
(2025)
(doi: 10.21203/rs.3.rs-6103978/v1)
Introduction to Computational Organic Chemistry.
Organic & biomolecular chemistry
(2024)
22
7072
(doi: 10.1039/d4ob90102a)
Towards automatically verifying chemical structures: the powerful combination of ¹H NMR and IR spectroscopy
(2024)
(doi: 10.21203/rs.3.rs-4719113/v1)
Leveraging Language Model Multi-Tasking to Predict C–H Borylation Selectivity
Journal of Chemical Information and Modeling
(2024)
64
4286
(doi: 10.1021/acs.jcim.4c00137)
Suppressing Cis/Trans ‘Ring‐Flipping’ in Organoaluminium(III)‐2‐Pyridyl Dimers–Design Strategies Towards Lewis Acid Catalysts for Alkene Oligomerisation
Chemistry A European Journal
(2024)
30
e202303872
(doi: 10.1002/chem.202303872)
HSQC Spectra Simulation and Matching for Molecular Identification
Journal of Chemical Information and Modeling
(2024)
64
3180
(doi: 10.1021/acs.jcim.3c01735)
Every atom counts: predicting sites of reaction based on chemistry within two bonds
Digital Discovery
(2024)
3
1878
(doi: 10.1039/d4dd00092g)
Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization.
Environ Sci Technol
(2023)
57
18259
(doi: 10.1021/acs.est.3c05300)
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