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
Oligomerisation and stereoselective polymerisation of alkenes and alkynes using pyridyl-based Al(iii) catalysts.
Chemical Science
(2026)
2026
(doi: 10.1039/d5sc07624b)
Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market.
Nat Commun
(2026)
17
647
(doi: 10.1038/s41467-025-67374-4)
Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model.
Angewandte Chemie International Edition
(2025)
138
e17611
(doi: 10.1002/ange.202517611)
Towards automatically verifying chemical structures: the powerful combination of 1H NMR and IR spectroscopy.
Chemical science
(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)
Enhancing molecular structure elucidation with reasoning-capable LLMs
Digital Discovery
(2025)
(doi: 10.1039/d5dd00359h)
Introduction to Computational Organic Chemistry.
Org Biomol Chem
(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 Multitasking To Predict C–H Borylation Selectivity
J Chem Inf Model
(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)
- Page 1
