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
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.
– Chemical research in toxicology
(2020)
34,
217
Confidence in Inactive and Active Predictions from Structural Alerts.
– Chem Res Toxicol
(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)
Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A.
– Chemical communications (Cambridge, England)
(2020)
56,
7565
(doi: 10.1039/d0cc03055d)
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
– Environ Sci Technol
(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)
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