Yusuf Hamied Department of Chemistry

Professor Jonathan Goodman

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

RSC CICAG Open Chemical Science Meeting: integrating chemical data from two symposia and a series of workshops
CJ Swain, JG Frey, JM Goodman
Pure and Applied Chemistry
(2022)
94
(doi: 10.1515/pac-2021-1003)
The DP5 probability, quantification and visualisation of structural uncertainty in single molecules.
A Howarth, JM Goodman
Chemical science
(2022)
13
(doi: 10.1039/d1sc04406k)
The DP5 Probability, Quantification and Visualisation of Structural Uncertainty in Single Molecules
A Howarth, J Goodman
(2022)
(doi: 10.26434/chemrxiv-2021-2blsb-v7)
A review of molecular representation in the age of machine learning
DS Wigh, JM Goodman, AA Lapkin
WIREs Computational Molecular Science
(2022)
12
(doi: 10.1002/wcms.1603)
Correction: Computational insights on the origin of enantioselectivity in reactions with diarylprolinol silyl ether catalysts via a radical pathway
CC Lam, JM Goodman
Organic Chemistry Frontiers
(2022)
9
(doi: 10.1039/d2qo90045a)
Computational insights on the origin of enantioselectivity in reactions with diarylprolinol silyl ether catalysts via a radical pathway
CC Lam, JM Goodman
Organic Chemistry Frontiers
(2022)
9
(doi: 10.1039/d2qo00354f)
N-Triflylphosphoramides: highly acidic catalysts for asymmetric transformations.
G Caballero-García, JM Goodman
Organic & Biomolecular Chemistry
(2021)
19
(doi: 10.1039/d1ob01708j)
Mechanistically driven identification of novel structural alerts for mitochondrial toxicity
C Gong, KR Przybylak, JM Goodman
Computational Toxicology
(2021)
20
(doi: 10.1016/j.comtox.2021.100183)
CATMoS: Collaborative Acute Toxicity Modeling Suite (vol 129, 047013, 2021)
K Mansouri, AL Karmaus, J Fitzpatrick, G Patlewicz, P Pradeep, D Alberga, N Alepee, TEH Allen, D Allen, VM Alves, CH Andrade, TR Auernhammer, D Ballabio, S Bell, E Benfenati, S Bhattacharya, JV Bastos, S Boyd, JB Brown, SJ Capuzzi, Y Chushak, H Ciallella, AM Clark, V Consonni, PR Daga, S Ekins, S Farag, M Fedorov, D Fourches, D Gadaleta, F Gao, JM Gearhart, G Goh, JM Goodman, F Grisoni, CM Grulke, T Hartung, M Hirn, P Karpov, A Korotcov, GJ Lavado, M Lawless, X Li, T Luechtefeld, F Lunghini, GF Mangiatordi, G Marcou, D Marsh, T Martin, A Mauri, EN Muratov, GJ Myatt, D-T Nguyen, O Nicolotti, R Note, P Pande, AK Parks, T Peryea, AH Polash, R Rallo, A Roncaglioni, C Rowlands, P Ruiz, DP Russo, A Sayed, R Sayre, T Sheils, C Siegel, AC Silva, A Simeonov, S Sosnin, N Southall, J Strickland, Y Tang, B Teppen, IV Tetko, D Thomas, V Tkachenko, R Todeschini, C Toma, I Tripodi, D Trisciuzzi, A Tropsha, A Varnek, K Vukovic, Z Wang, L Wang, KM Waters, AJ Wedlake, SJ Wijeyesakere, D Wilson, Z Xiao, H Yang, G Zahoranszky-Kohalmi, AV Zakharov, FF Zhang, Z Zhang, T Zhao, H Zhu, KM Zorn, W Casey, NC Kleinstreuer
Environmental health perspectives
(2021)
129
(doi: 10.1289/EHP10369)
Use of chemical informatics, quantum chemistry modelling and artificial intelligence algorithms to predict molecular initiating events
TEH Allen, AJ Wedlake, MN Grayson, AM Middleton, M Folia, M Baltazar, P Piechota, E Gelzinyte, JM Goodman, PJ Russell, P Kukic, S Gutsell
TOXICOLOGY LETTERS
(2021)
350
(doi: 10.17863/CAM.79048)

Research Group

Research Interest Groups

Telephone number

01223 336434

Email address

jmg11@cam.ac.uk

College

Clare College
Yusuf Hamied Department of Chemistry
Lensfield Road
Cambridge
CB2 1EW
T: +44 (0) 1223 336300
enquiries@ch.cam.ac.uk
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