Professor in 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
Quantitative Predictions for Molecular Initiating Events Using Three-Dimensional Quantitative Structure–Activity Relationships
– Chemical research in toxicology
(2020)
33,
324
DP4-AI Automated NMR Data Analysis: Straight from Spectrometer to Structure
– Chemical Science
(2020)
DP4-AI Automated NMR Data Analysis: Straight from Spectrometer to Structure
– chemrxiv
(2020)
(doi: 10.26434/chemrxiv.11763255)
Structural Alerts and Random Forest Models in a Consensus Approach for Receptor Binding Molecular Initiating Events.
– Chem Res Toxicol
(2020)
33,
388
Towards the Total Synthesis of Hemicalide: Synthesis of the C27-C46 Region
– MARINE DRUGS
(2020)
18,
Guest Binding via N−H⋅⋅⋅π Bonding and Kinetic Entrapment by an Inorganic Macrocycle
– Angewandte Chemie (International ed. in English)
(2019)
58,
10655
(doi: 10.1002/anie.201905771)
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
– Organic & Biomolecular Chemistry
(2019)
17,
5886
(doi: 10.1039/c9ob00840c)
BINOPtimal: a web tool for optimal chiral phosphoric acid catalyst selection
– Chemical communications (Cambridge, England)
(2019)
55,
1778
(doi: 10.1039/c8cc09344j)
Reaction InChl (RInChI): Present and future
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258,
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