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Yusuf Hamied Department of Chemistry

 

Publications by Professor Jonathan Goodman

Gaining insight into toxicity predicting machine learning algorithms
TEH Allen, E Gelzinyte, AJ Wedlake, JM Goodman, S Gutsell, PJ Russell
– TOXICOLOGY LETTERS
(2019)
314,
S280
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,
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,
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,
Computational approaches for predicting Molecular Initiating Events
TEH Allen, JM Goodman, MN Grayson, S Gutsell, PJ Russell
– Toxicology Letters
(2018)
295,
s99
(DOI: 10.1016/j.toxlet.2018.06.605)
Using Transition State Modeling to Predict Mutagenicity for Michael Acceptors
TEH Allen, MN Grayson, JM Goodman, S Gutsell, PJ Russell
– J Chem Inf Model
(2018)
58,
1266
(DOI: 10.1021/acs.jcim.8b00130)
Reaction Prediction and Synthesis Design
JM Goodman
(2018)
86
(DOI: 10.1002/9783527806539.ch4b)
International chemical identifier for reactions (RInChI)
G Grethe, G Blanke, H Kraut, JM Goodman
– Journal of Cheminformatics
(2018)
10,
22
(DOI: 10.1186/s13321-018-0277-8)
International chemical identifier for reactions (RInChI).
G Grethe, G Blanke, H Kraut, JM Goodman
– Journal of Cheminformatics
(2018)
248,
22
(DOI: 10.1186/s13321-018-0277-8)
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 (Cambridge, England)
(2018)
54,
3247
(DOI: 10.1039/c8cc00933c)
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,
213
(DOI: 10.1093/toxsci/kfy144)
Chemical Reactions: Reaction Prediction and Synthesis Design
JM Goodman
(2018)
86
(DOI: 10.1002/9783527806539.ch4b)
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,
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,
Doubling the power of DP4 for computational structure elucidation
JM Goodman, K Ermanis, KEB Parkes, T Agback
– Organic & 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
JP Reid, JM Goodman
– Chemistry (Weinheim an der Bergstrasse, Germany)
(2017)
23,
14248
(DOI: 10.1002/chem.201702019)
Transfer hydrogenation of <i>ortho</i>-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,
6943
(DOI: 10.1039/C7OB01345K)
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,
23
(DOI: 10.1186/s13321-017-0210-6)
(Z)-selective Takai olefination of salicylaldehydes
SM Geddis, CE Hagerman, WRJD Galloway, HF Sore, JM Goodman, DR Spring
– Beilstein journal of organic chemistry
(2017)
13,
323
(DOI: 10.3762/bjoc.13.35)

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