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
In Silico Guidance for In Vitro Androgen and Glucocorticoid Receptor ToxCast Assays.
Environmental Science & Technology
(2020)
54
7461
(doi: 10.1021/acs.est.0c01105)
Rapid Route-Finding for Bifurcating Organic Reactions.
J Am Chem Soc
(2020)
142
9210
(doi: 10.1021/jacs.9b13449)
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
Gaining insight into toxicity predicting machine learning algorithms
TOXICOLOGY LETTERS
(2019)
314
S280
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