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
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.
Chemical Communications
(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)
Selecting Chiral BINOL‐Derived Phosphoric Acid Catalysts: General Model To Identify Steric Features Essential for Enantioselectivity
Chemistry
(2017)
23
14248
(doi: 10.1002/chem.201702019)
Better synthesis for the next molecule
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
254
International Chemical Identifier for Reactions (RInChI): What is RInChI and how does it revolutionize the handling of reaction databases?
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
254
Transfer hydrogenation of ortho-hydroxybenzophenone ketimines catalysed by BINOL-derived phosphoric acid occurs by a 14-membered bifunctional transition structure
Org Biomol Chem
(2017)
15
6943
(doi: 10.1039/C7OB01345K)
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