skip to content
Home

Yusuf Hamied Department of Chemistry

 

Professor Jonathan Goodman

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

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,
3730
(doi: 10.1039/d2qo00354f)
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,
4221
(doi: 10.1039/d2qo90045a)
N-Triflylphosphoramides: highly acidic catalysts for asymmetric transformations
G Caballero-García, JM Goodman
– Organic and Biomolecular Chemistry
(2021)
19,
9565
(doi: 10.1039/d1ob01708j)
Mechanistically driven identification of novel structural alerts for mitochondrial toxicity
C Gong, KR Przybylak, JM Goodman
– Computational Toxicology
(2021)
20,
100183
(doi: 10.1016/j.comtox.2021.100183)
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 Gelžinytė, JM Goodman, PJ Russell, P Kukic, S Gutsell
– Toxicology Letters
(2021)
350,
S17
(doi: 10.1016/s0378-4274(21)00274-5)
InChI version 1.06: now more than 99.99% reliable
JM Goodman, I Pletnev, P Thiessen, E Bolton, SR Heller
– Journal of Cheminformatics
(2021)
13,
40
(doi: 10.1186/s13321-021-00517-z)
CATMoS: Collaborative acute toxicity modeling suite
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,
47013
(doi: 10.1289/ehp8495)
VRAI-selectivity: Calculation of selectivity beyond transition state theory
S Lee, JM Goodman
– Organic & Biomolecular Chemistry
(2021)
19,
3940
(doi: 10.1039/d1ob00234a)
InChI Version 1.06: Now More Than 99.99 % Reliable
E Bolton, JM Goodman, SR Heller, I Pletnev, P Thiessen
(2021)
(doi: 10.21203/rs.3.rs-378701/v1)
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,
S17
(doi: 10.17863/CAM.79048)
  • <
  • 4 of 32
  • >

Research Group

Research Interest Groups

Telephone number

01223 336434

Email address

jmg11@cam.ac.uk

College

Clare College

    Study at Cambridge

    About the University

    Research at Cambridge