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
DP4-AI automated NMR data analysis: straight from spectrometer to structure
Chemical science
(2020)
11
4351
(doi: 10.1039/d0sc00442a)
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)
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
Guest Binding via N−H⋅⋅⋅π Bonding and Kinetic Entrapment by an Inorganic Macrocycle
Angew Chem Int Ed Engl
(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)
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