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
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
Environmental science & technology
(2023)
57
18259
(doi: 10.1021/acs.est.3c05300)
HSQC Spectra Simulation and Matching for Molecular Identification
(2023)
(doi: 10.26434/chemrxiv-2023-x4b1g)
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches
Journal of chemical information and modeling
(2023)
63
4364
(doi: 10.1021/acs.jcim.3c00649)
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions
(2023)
(doi: 10.26434/chemrxiv-2023-74p0j)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
(2023)
CONFPASS: fast DFT re-optimizations of structures from conformation searches
(2023)
(doi: 10.26434/chemrxiv-2023-vhlgg)
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis.
Angewandte Chemie (Weinheim an der Bergstrasse, Germany)
(2023)
135
e202304756
(doi: 10.1002/ange.202304756)
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis
Angewandte Chemie International Edition
(2023)
62
e202304756
(doi: 10.1002/anie.202304756)
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence.
J Cheminform
(2023)
15
36
(doi: 10.1186/s13321-023-00706-y)
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