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
RSC CICAG Open Chemical Science meeting: integrating chemical data from two symposia and a series of workshops
Pure and Applied Chemistry
(2022)
94
677
(doi: 10.1515/pac-2021-1003)
The DP5 probability, quantification and visualisation of structural uncertainty in single molecules
Chemical Science
(2022)
13
3507
(doi: 10.1039/d1sc04406k)
The DP5 Probability, Quantification and Visualisation of Structural Uncertainty in Single Molecules
(2022)
A review of molecular representation in the age of machine learning
WIREs Computational Molecular Science
(2022)
12
e1603
(doi: 10.1002/wcms.1603)
Computational insights on the origin of enantioselectivity in reactions with diarylprolinol silyl ether catalysts via a radical pathway
Organic Chemistry Frontiers
(2022)
9
3730
(doi: 10.1039/d2qo00354f)
Correction: Computational insights on the origin of enantioselectivity in reactions with diarylprolinol silyl ether catalysts via a radical pathway (Organic Chemistry Frontiers (2022) DOI: 10.1039/d2qo00354f)
Organic Chemistry Frontiers
(2022)
9
4221
(doi: 10.1039/d2qo90045a)
N-Triflylphosphoramides: highly acidic catalysts for asymmetric transformations.
Organic & Biomolecular Chemistry
(2021)
19
9565
(doi: 10.1039/d1ob01708j)
Mechanistically driven identification of novel structural alerts for mitochondrial toxicity
Computational Toxicology
(2021)
20
100183
(doi: 10.1016/j.comtox.2021.100183)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
Toxicology Letters
(2021)
350
s17
InChI version 1.06: now more than 99.99% reliable.
Journal of cheminformatics
(2021)
13
40
(doi: 10.1186/s13321-021-00517-z)
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