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
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TOXICOLOGY LETTERS
(2021)
350
S17
(doi: 10.17863/CAM.79048)
Machine Learning in Predictive Toxicology: Recent Applications and Future Directions for Classification Models
Chem Res Toxicol
(2020)
34
217
Confidence in Inactive and Active Predictions from Structural Alerts
Chemical research in toxicology
(2020)
33
3010
A Computational and Experimental Investigation of the Origin of Selectivity in the Chiral Phosphoric Acid Catalyzed Enantioselective Minisci Reaction.
J Am Chem Soc
(2020)
142
21091
(doi: 10.1021/jacs.0c09668)
Neural network activation similarity: a new measure to assist decision making in chemical toxicology
Chemical science
(2020)
11
7335
(doi: 10.1039/d0sc01637c)
Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A
Chemical Communications
(2020)
(doi: 10.1039/d0cc03055d)
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
Journal of the American Chemical Society
(2020)
142
9210
(doi: 10.1021/jacs.9b13449)
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