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
Chemical Reactions: Reaction Prediction and Synthesis Design
(2018)
86
(doi: 10.1002/9783527806539.ch4b)
International chemical identifier for reactions (RInChI): The key to managing reaction databases effectively
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Using 2D Structural Alerts to Define Chemical Categories for Molecular Initiating Events.
Toxicological Sciences
(2018)
165
213
(doi: 10.1093/toxsci/kfy144)
Advances in computational NMR structure elucidation by DP4: Automation, optimisation and raw data analysis
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Doubling the power of DP4 for computational structure elucidation
Org Biomol Chem
(2017)
15
8998
(doi: 10.1039/C7OB01379E)
Selecting Chiral BINOL-Derived Phosphoric Acid Catalysts: General Model To Identify Steric Features Essential for Enantioselectivity
Chemistry A European Journal
(2017)
23
14248
(doi: 10.1002/chem.201702019)
Transfer hydrogenation of ortho-hydroxybenzophenone ketimines catalysed by BINOL-derived phosphoric acid occurs by a 14-membered bifunctional transition structure.
Organic & biomolecular chemistry
(2017)
15
6943
(doi: 10.1039/c7ob01345k)
A possible extension to the RInChI as a means of providing machine readable process data.
Journal of cheminformatics
(2017)
9
23
(doi: 10.1186/s13321-017-0210-6)
(Z)-Selective Takai olefination of salicylaldehydes.
Beilstein J Org Chem
(2017)
13
323
(doi: 10.3762/bjoc.13.35)
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
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