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
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,
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 2D Structural Alerts to Define Chemical Categories for Molecular Initiating Events.
– Toxicological Sciences
(2018)
165,
213
(doi: 10.1093/toxsci/kfy144)
Doubling the power of DP4 for computational structure elucidation
– Organic and 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 – 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 journal of organic chemistry
(2017)
13,
323
(doi: 10.3762/bjoc.13.35)
Better synthesis for the next molecule
– ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2017)
254,
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