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
Organometallics: InChing forwards to better representations and happier chemists
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258,
Gaining insight into toxicity predicting machine learning algorithms
– TOXICOLOGY LETTERS
(2019)
314,
S280
Reaction InChl (RInChI): Present and future
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258,
Computational approaches for predicting Molecular Initiating Events
– Toxicology Letters
(2018)
295,
S99
(doi: 10.1016/j.toxlet.2018.06.605)
Using Transition State Modeling to Predict Mutagenicity for Michael Acceptors
– J Chem Inf Model
(2018)
58,
1266
(doi: 10.1021/acs.jcim.8b00130)
International chemical identifier for reactions (RInChI)
– Journal of Cheminformatics
(2018)
10,
22
(doi: 10.1186/s13321-018-0277-8)
International chemical identifier for reactions (RInChI)
– Journal of Cheminformatics
(2018)
10,
22
(doi: 10.1186/s13321-018-0277-8)
A synthesis-enabled relative stereochemical assignment of the c1-C28 region of hemicalide
– Chem Commun (Camb)
(2018)
54,
3247
(doi: 10.1039/c8cc00933c)
Chemical Reactions: Reaction Prediction and Synthesis Design
(2018)
86
(doi: 10.1002/9783527806539.ch4b)
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