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
Towards the Total Synthesis of Hemicalide: Synthesis of the C27-C46 Region
MARINE DRUGS
(2020)
18
Structural Alerts and Random Forest Models in a Consensus Approach for Receptor Binding Molecular Initiating Events.
Chemical research in toxicology
(2019)
33
388
Gaining insight into toxicity predicting machine learning algorithms
TOXICOLOGY LETTERS
(2019)
314
S280
Organometallics: InChing forwards to better representations and happier chemists
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Reaction InChl (RInChI): Present and future
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Names for structural variability: Alkanes from maximum efficiency to the limits of existence
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Guest Binding via N−H⋅⋅⋅π Bonding and Kinetic Entrapment by an Inorganic Macrocycle
Angewandte Chemie
(2019)
131
10765
(doi: 10.1002/ange.201905771)
The optimal DFT approach in DP4 NMR structure analysis - pushing the limits of relative configuration elucidation.
Org Biomol Chem
(2019)
17
5886
(doi: 10.1039/c9ob00840c)
Synthesis-enabled stereochemical assignment of the C1-C28 region of hemicalide: A potent cytotoxic polyketide of marine sponge origin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
257
BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection.
Chem Commun (Camb)
(2019)
55
1778
(doi: 10.1039/c8cc09344j)
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