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
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)
Chemically relevant conformation clustering: Applications to reaction exploration and calculation of spectra
– 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
– Toxicol Sci
(2018)
165,
213
(doi: 10.1093/toxsci/kfy144)
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,
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
(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)
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