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
Organometallics: InChing forwards to better representations and happier chemists
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Synthesis-enabled stereochemical assignment of the C1-C28 region of hemicalide: A potent cytotoxic polyketide of marine sponge origin
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
257
Reaction InChl (RInChI): Present and future
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Gaining insight into toxicity predicting machine learning algorithms
TOXICOLOGY LETTERS
(2019)
314
S280
Names for structural variability: Alkanes from maximum efficiency to the limits of existence
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)
A synthesis-enabled relative stereochemical assignment of the c1-C28 region of hemicalide
Chemical communications (Cambridge, England)
(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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