Yusuf Hamied Department of Chemistry

Publications by Professor Jonathan Goodman

Oligomerisation and stereoselective polymerisation of alkenes and alkynes using pyridyl-based Al( iii ) catalysts
D Choudhury, R Danylyuk, A Terzopoulos, NS Potter, OA Scherman, JM Goodman, DS Wright
Chemical Science
(2026)
2026
(doi: 10.1039/D5SC07624B)
Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market
K von Borries, KV Beckwith, JM Goodman, WA Chiu, O Jolliet, P Fantke
Nat Commun
(2026)
17
(doi: 10.1038/s41467-025-67374-4)
Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model
M Priessner, RJ Lewis, I Lemurell, MJ Johansson, J Goodman, JP Janet, A Tomberg
Angewandte Chemie (International ed. in English)
(2025)
65
(doi: 10.1002/anie.202517611)
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)
Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market
K von Borries, K Beckwith, J Goodman, W Chiu, O Jolliet, P Fantke
(2025)
(doi: 10.21203/rs.3.rs-6103978/v1)
Introduction to Computational Organic Chemistry.
JM Goodman, JP Reid, JI Wu
Organic & Biomolecular Chemistry
(2024)
22
(doi: 10.1039/d4ob90102a)
Towards automatically verifying chemical structures: the powerful combination of ¹H NMR and IR spectroscopy
R Lewis, B Rowlands, L Jonsson, J Goodman, P Howe, W Czechtizky, T Leek
(2024)
(doi: 10.21203/rs.3.rs-4719113/v1)
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity
R Kotlyarov, K Papachristos, GPF Wood, JM Goodman
Journal of chemical information and modeling
(2024)
64
(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.
D Choudhury, CC Lam, NL Farag, J Slaughter, AD Bond, JM Goodman, DS Wright
Chemistry – A European Journal
(2024)
30
(doi: 10.1002/chem.202303872)
HSQC Spectra Simulation and Matching for Molecular Identification
M Priessner, RJ Lewis, MJ Johansson, JM Goodman, JP Janet, A Tomberg
Journal of chemical information and modeling
(2024)
64
(doi: 10.1021/acs.jcim.3c01735)
Every atom counts: predicting sites of reaction based on chemistry within two bonds
CC Lam, JM Goodman
Digital Discovery
(2024)
3
(doi: 10.1039/d4dd00092g)
Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization.
K von Borries, H Holmquist, M Kosnik, KV Beckwith, O Jolliet, JM Goodman, P Fantke
Environmental Science and Technology
(2023)
57
(doi: 10.1021/acs.est.3c05300)
HSQC Spectra Simulation and Matching for Molecular Identification
M Priessner, A Tomberg, JP Janet, RJ Lewis, JM Goodman, MJ Jonahnsson
(2023)
(doi: 10.26434/chemrxiv-2023-x4b1g)
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches.
CC Lam, JM Goodman
Journal of chemical information and modeling
(2023)
63
(doi: 10.1021/acs.jcim.3c00649)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
CC Lam, JM Goodman
(2023)
(doi: 10.26434/chemrxiv-2023-74p0j)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
(doi: 10.26434/chemrxiv-2023-vhlgg-v2)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
CC Lam, JM Goodman
(2023)
(doi: 10.26434/chemrxiv-2023-vhlgg)
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis.
MM Simpson, CC Lam, JM Goodman, S Balasubramanian
Angewandte Chemie
(2023)
135
(doi: 10.1002/ange.202304756)
Selective Functionalisation of 5‐Methylcytosine by Organic Photoredox Catalysis
MM Simpson, CC Lam, JM Goodman, S Balasubramanian
Angew Chem Int Ed Engl
(2023)
62
(doi: 10.1002/anie.202304756)
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.
J Goodman, RJ Lewis, J Lam
Journal of cheminformatics
(2023)
15
(doi: 10.1186/s13321-023-00706-y)
Yusuf Hamied Department of Chemistry
Lensfield Road
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CB2 1EW
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enquiries@ch.cam.ac.uk
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