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
Computational approaches for predicting Molecular Initiating Events
Toxicology Letters
(2018)
295
s99
(doi: 10.1016/j.toxlet.2018.06.605)
International chemical identifier for reactions (RInChI): The key to managing reaction databases effectively
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Chemically relevant conformation clustering: Applications to reaction exploration and calculation of spectra
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Advances in computational NMR structure elucidation by DP4: Automation, optimisation and raw data analysis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors
Journal of chemical information and modeling
(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.
Chem Commun (Camb)
(2018)
54
3247
(doi: 10.1039/c8cc00933c)
Using 2D Structural Alerts to Define Chemical Categories for Molecular Initiating Events
Toxicological Sciences
(2018)
165
213
(doi: 10.1093/toxsci/kfy144)
Chemical Reactions: Reaction Prediction and Synthesis Design
(2018)
86
(doi: 10.1002/9783527806539.ch4b)
Doubling the power of DP4 for computational structure elucidation.
Organic & biomolecular chemistry
(2017)
15
8998
(doi: 10.1039/c7ob01379e)
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