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
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)
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
Better synthesis for the next molecule
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
Organic and Biomolecular Chemistry
(2017)
15
6943
(doi: 10.1039/c7ob01345k)
A possible extension to the RInChI as a means of providing machine readable process data
J Cheminform
(2017)
9
23
(doi: 10.1186/s13321-017-0210-6)
(<i>Z</i>)-Selective Takai olefination of salicylaldehydes.
Beilstein J Org Chem
(2017)
13
323
(doi: 10.3762/bjoc.13.35)
A History of the Molecular Initiating Event.
Chem Res Toxicol
(2016)
29
2060
Using Molecular Initiating Events To Generate 2D Structure–Activity Relationships for Toxicity Screening
Chem Res Toxicol
(2016)
29
1611
Goldilocks Catalysts: Computational Insights into the Role of the 3,3' Substituents on the Selectivity of BINOL-Derived Phosphoric Acid Catalysts.
J Am Chem Soc
(2016)
138
7910
(doi: 10.1021/jacs.6b02825)
ChemInform Abstract: A Practical Guide for Predicting the Stereochemistry of Bifunctional Phosphoric Acid Catalyzed Reactions of Imines
ChemInform
(2016)
47
no
(doi: 10.1002/chin.201628274)
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