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
Chemically relevant conformation clustering: Applications to reaction exploration and calculation of spectra
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
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
Chemical Reactions: Reaction Prediction and Synthesis Design
(2018)
86
(doi: 10.1002/9783527806539.ch4b)
Using 2D Structural Alerts to Define Chemical Categories for Molecular Initiating Events.
Toxicol Sci
(2018)
165
213
(doi: 10.1093/toxsci/kfy144)
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
Org Biomol Chem
(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)
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