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
Dynamic combinatorial discovery of a [2]-catenane and its guest-induced conversion into a molecular square host
Journal of the American Chemical Society
(2008)
130
10834
(doi: 10.1021/ja801508q)
Solubility challenge: Can you predict solubilities of 32 molecules using a database of 100 reliable measurements?
Journal of chemical information and modeling
(2008)
48
{1289-1303}
(doi: 10.1021/ci800058v)
Theoretical study of the asymmetric conjugate alkenylation of enones catalyzed by binaphthols
The Journal of Organic Chemistry
(2008)
73
{5078-5089}
(doi: 10.1021/jo8007463)
Theoretical Study of the Mechanism of Hantzsch Ester Hydrogenation of Imines Catalyzed by Chiral BINOL-Phosphoric Acids
Journal of the American Chemical Society
(2008)
130
8741
(doi: 10.1021/ja800793t)
Stereostructure Assignment of Flexible Five-Membered Rings by GIAO 13C NMR Calculations: Prediction of the Stereochemistry of Elatenyne
The Journal of Organic Chemistry
(2008)
73
{4053-4062}
(doi: 10.1021/jo8003138)
ORGN 194-Calculations on organocatalysis: asymmetric reactions of imines
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
235
ORGN 126-Understanding the interactions between dye molecules and cellulose
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
235
CINF 73-Molecular informatics: Research and learning
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2008)
235
Predicting intrinsic aqueous solubility by a thermodynamic cycle.
Molecular Pharmaceutics
(2008)
5
266
(doi: 10.1021/mp7000878)
ChemInform Abstract: Exploration of the Accessible Chemical Space of Acyclic Alkanes.
ChemInform
(2008)
39
no
(doi: 10.1002/chin.200807200)
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