BINOPtimal: A web tool for optimal chiral phosphoric acid catalyst selection
JP Reid, K Ermanis, JM Goodman
Chemical communications (Cambridge, England)
(2019)
55
Reaction InChl (RInChI): Present and future
G Blanke, J Goodman, G Grethe, H Kraut
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Synthesis-enabled stereochemical assignment of the C1-C28 region of hemicalide: A potent cytotoxic polyketide of marine sponge origin
N Lam, BY Han, C MacGregor, J Goodman, I Paterson
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
257
Names for structural variability: Alkanes from maximum efficiency to the limits of existence
J Goodman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Gaining insight into toxicity predicting machine learning algorithms
TEH Allen, E Gelzinyte, AJ Wedlake, JM Goodman, S Gutsell, PJ Russell
TOXICOLOGY LETTERS
(2019)
314
Organometallics: InChing forwards to better representations and happier chemists
I Bruno, C Batchelor, J Goodman, G Blanke
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2019)
258
Computational approaches for predicting Molecular Initiating Events
TEH Allen, JM Goodman, MN Grayson, S Gutsell, PJ Russell
Toxicology Letters
(2018)
295
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors
TEH Allen, MN Grayson, JM Goodman, S Gutsell, PJ Russell
Journal of Chemical Information and Modeling
(2018)
58
International chemical identifier for reactions (RInChI)
G Grethe, G Blanke, H Kraut, JM Goodman
Journal of Cheminformatics
(2018)
10
A synthesis-enabled relative stereochemical assignment of the C1-C28 region of hemicalide.
BY Han, NYS Lam, CI MacGregor, JM Goodman, I Paterson
Chemical Communications
(2018)
54
Chemically relevant conformation clustering: Applications to reaction exploration and calculation of spectra
K Ermanis, J Goodman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Advances in computational NMR structure elucidation by DP4: Automation, optimisation and raw data analysis
K Ermanis, A Howarth, J Goodman
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Chemical Reactions: Reaction Prediction and Synthesis Design
JM Goodman
(2018)
International chemical identifier for reactions (RInChI): The key to managing reaction databases effectively
J Goodman, G Blanke, G Grethe, H Kraut
ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY
(2018)
256
Using 2D Structural Alerts to Define Chemical Categories for Molecular Initiating Events
TEH Allen, JM Goodman, S Gutsell, PJ Russell
Toxicol Sci
(2018)
165
Doubling the Power of DP4 for Computational Structure Elucidation
JM Goodman, K Ermanis, KEB Parkes, T Agback
Organic & biomolecular chemistry
(2017)
15
Selecting Chiral BINOL-Derived Phosphoric Acid Catalysts: General Model To Identify Steric Features Essential for Enantioselectivity.
JP Reid, JM Goodman
Chemistry - A European Journal
(2017)
23
Transfer hydrogenation of ortho-hydroxybenzophenone ketimines catalysed by BINOL-derived phosphoric acid occurs by a 14-membered bifunctional transition structure.
JP Reid, JM Goodman
Organic & Biomolecular Chemistry
(2017)
15
A possible extension to the RInChI as a means of providing machine readable process data
PM Jacob, T Lan, JM Goodman, AA Lapkin
Journal of Cheminformatics
(2017)
9
(Z)-Selective Takai olefination of salicylaldehydes
SM Geddis, CE Hagerman, WRJD Galloway, HF Sore, JM Goodman, DR Spring
Beilstein J Org Chem
(2017)
13