Jonathan M. Goodman - Publications, H-index & Citations

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Jonathan M. Goodman

University of Cambridge

57H-index

346Paper Count

1.1WCitation Count

Published Papers 112

Publication Date

Uncertainty-aware machine learning to predict non-cancer human toxicity for the global chemicals market

Nature Communications

IF15.7

2026-01-07

OAAI

Kerstin von Borries; Katie V. Beckwith; Jonathan M. Goodman; Weihsueh A. Chiu; Olivier Jolliet; Peter Fantke

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Advancing Structure Elucidation with a Flexible Multi-Spectral AI Model

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2025-11-01

OAAI

Priessner, Martin; Lewis, Richard J.; Lemurell, Isak; Johansson, Magnus J.; Goodman, Jonathanm.; Janet, Jon Paul; Tomberg, Anna

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Towards automatically verifying chemical structures: the powerful combination of 1H NMR and IR spectroscopy

Chem. Sci.

IF7.4

2025-10-09

OAAI

J. Benji Rowlands; Lina Jonsson; Jonathan Goodman; Peter Howe; Werngard Czechtizky; Tomas Leek; Richard James Lewis

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Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-05-06

OAAI

Kotlyarov, Ruslan; Papachristos, Konstantinos; Wood, Geoffrey P. F.; Goodman, Jonathan M.

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Suppressing Cis/Trans 'Ring-Flipping' in Organoaluminium(III)-2-Pyridyl Dimers-Design Strategies Towards Lewis Acid Catalysts for Alkene Oligomerisation

CHEMISTRY-A EUROPEAN JOURNAL

IF3.7

2024-04-04

OAAI

Choudhury, Dipanjana; Lam, Ching Ching; Farag, Nadia L.; Slaughter, Jonathan; Bond, Andrew D.; Goodman, Jonathan M.; Wright, Dominic S.

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HSQC Spectra Simulation and Matching for Molecular Identification

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2024-03-27

OAAI

Priessner, Martin; Lewis, Richard J.; Johansson, Magnus J.; Goodman, Jonathan M.; Janet, Jon Paul; Tomberg, Anna

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Every atom counts: predicting sites of reaction based on chemistry within two bonds

DIGITAL DISCOVERY

IF5.6

2024-01-01

OAAI

Lam, Ching Ching; Goodman, Jonathan M.

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Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization

ENVIRONMENTAL SCIENCE & TECHNOLOGY

IF11.3

2023-11-01

OAAI

von Borries, Kerstin; Holmquist, Hanna; Kosnik, Marissa; Beckwith, Katie V.; Jolliet, Olivier; Goodman, Jonathan M.; Fantke, Peter

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CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches

JOURNAL OF CHEMICAL INFORMATION AND MODELING

IF5.3

2023-07-10

OAAI

Lam, Ching Ching; Goodman, Jonathan M.

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Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION

IF16.9

2023-05-15

OAAI

Simpson, Mathew M.; Lam, Ching Ching; Goodman, Jonathan M.; Balasubramanian, Shankar

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Preclinical evaluation of a third-generation absorbable antibacterial envelope

HEART RHYTHM

IF5.7

2023-05-01

PREAI

Love, Charles J.; Hanna, Ibrahim; Thomas, George; Greenspon, Arnold J.; Christie, Melissa; Goodman, Jonathan; Christopherson, Matthew; Balaji, Vasanthi; Skulsky, Shira; Sanders, Matthew; Bauer, Carrie; Schindeldecker, William; Kirchhof, Nicole; Sohail, Rizwan

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Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence

JOURNAL OF CHEMINFORMATICS

IF5.7

2023-03-21

OAAI

Lam, Jonathan; Lewis, Richard J.; Goodman, Jonathan M.

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Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions

CHEMICAL SCIENCE

IF7.4

2023-01-01

OAAI

Lam, Ching Ching; Goodman, Jonathan M.

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Towards quantifying the uncertainty in in silico predictions using Bayesian learning

COMPUTATIONAL TOXICOLOGY

IF2.9

2022-08-01

OAAI

Allen, Timothy E. H.; Middleton, Alistair M.; Goodman, Jonathan M.; Russell, Paul J.; Kukic, Predrag; Gutsell, Steve

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A review of molecular representation in the age of machine learning

WILEY INTERDISCIPLINARY REVIEWS-COMPUTATIONAL MOLECULAR SCIENCE

IF27

2022-02-18

131

OAAI

Wigh, Daniel S.; Goodman, Jonathan M.; Lapkin, Alexei A.

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MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations

CHEMICAL SCIENCE

IF7.4

2022-01-01

OAAI

Lee, Sanha; Ermanis, Kristaps; Goodman, Jonathan M.

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The DP5 probability, quantification and visualisation of structural uncertainty in single molecules

CHEMICAL SCIENCE

IF7.4

2022-01-01

OAAI

Howarth, Alexander; Goodman, Jonathan M.

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Mechanistically driven identification of novel structural alerts for mitochondrial toxicity

COMPUTATIONAL TOXICOLOGY

IF2.9

2021-11-01

OAAI

Gong, Charles; Przybylak, Katarzyna R.; Goodman, Jonathan M.

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CATMoS: Collaborative Acute Toxicity Modeling Suite (vol 129, 047013, 2021)

ENVIRONMENTAL HEALTH PERSPECTIVES

IF9.8

2021-10-01

OAAI

Mansouri, Kamel; Karmaus, Agnes L.; Fitzpatrick, Jeremy; Patlewicz, Grace; Pradeep, Prachi; Alberga, Domenico; Alepee, Nathalie; Allen, Timothy E. H.; Allen, Dave; Alves, Vinicius M.; Andrade, Carolina H.; Auernhammer, Tyler R.; Ballabio, Davide; Bell, Shannon; Benfenati, Emilio; Bhattacharya, Sudin; V. Bastos, Joyce; Boyd, Stephen; Brown, J. B.; Capuzzi, Stephen J.; Chushak, Yaroslav; Ciallella, Heather; Clark, Alex M.; Consonni, Viviana; Daga, Pankaj R.; Ekins, Sean; Farag, Sherif; Fedorov, Maxim; Fourches, Denis; Gadaleta, Domenico; Gao, Feng; Gearhart, Jeffery M.; Goh, Garett; Goodman, Jonathan M.; Grisoni, Francesca; Grulke, Christopher M.; Hartung, Thomas; Hirn, Matthew; Karpov, Pavel; Korotcov, Alexandru; Lavado, Giovanna J.; Lawless, Michael; Li, Xinhao; Luechtefeld, Thomas; Lunghini, Filippo; Mangiatordi, Giuseppe F.; Marcou, Gilles; Marsh, Dan; Martin, Todd; Mauri, Andrea; Muratov, Eugene N.; Myatt, Glenn J.; Nguyen, Dac-Trung; Nicolotti, Orazio; Note, Reine; Pande, Paritosh; Parks, Amanda K.; Peryea, Tyler; Polash, Ahsan H.; Rallo, Robert; Roncaglioni, Alessandra; Rowlands, Craig; Ruiz, Patricia; Russo, Daniel P.; Sayed, Ahmed; Sayre, Risa; Sheils, Timothy; Siegel, Charles; Silva, Arthur C.; Simeonov, Anton; Sosnin, Sergey; Southall, Noel; Strickland, Judy; Tang, Yun; Teppen, Brian; V. Tetko, Igor; Thomas, Dennis; Tkachenko, Valery; Todeschini, Roberto; Toma, Cosimo; Tripodi, Ignacio; Trisciuzzi, Daniela; Tropsha, Alexander; Varnek, Alexandre; Vukovic, Kristijan; Wang, Zhongyu; Wang, Liguo; Waters, Katrina M.; Wedlake, Andrew J.; Wijeyesakere, Sanjeeva J.; Wilson, Dan; Xiao, Zijun; Yang, Hongbin; Zahoranszky-Kohalmi, Gergely; V. Zakharov, Alexey; Zhang, Fagen F.; Zhang, Zhen; Zhao, Tongan; Zhu, Hao; Zorn, Kimberley M.; Casey, Warren; Kleinstreuer, Nicole C.

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CATMoS: Collaborative Acute Toxicity Modeling Suite (vol 129, 047013, 2021)

ENVIRONMENTAL HEALTH PERSPECTIVES

IF9.8

2021-07-01

OAAI

Mansouri, Kamel; Karmaus, Agnes; Fitzpatrick, Jeremy; Patlewicz, Grace; Pradeep, Prachi; Alberga, Domenico; Alepee, Nathalie; Allen, Timothy E. H.; Allen, Dave; Alves, Vinicius M.; Andrade, Carolina H.; Auernhammer, Tyler R.; Ballabio, Davide; Bell, Shannon; Benfenati, Emilio; Bhattacharya, Sudin; V. Bastos, Joyce; Boyd, Stephen; Brown, J. B.; Capuzzi, Stephen J.; Chushak, Yaroslav; Ciallella, Heather; Clark, Alex M.; Consonni, Viviana; Daga, Pankaj R.; Ekins, Sean; Farag, Sherif; Fedorov, Maxim; Fourches, Denis; Gadaleta, Domenico; Gao, Feng; Gearhart, Jeffery M.; Goh, Garett; Goodman, Jonathan M.; Grisoni, Francesca; Grulke, Christopher M.; Hartung, Thomas; Hirn, Matthew; Karpov, Pavel; Korotcov, Alexandru; Lavado, Giovanna J.; Lawless, Michael; Li, Xinhao; Luechtefeld, Thomas; Lunghini, Filippo; Mangiatordi, Giuseppe F.; Marcou, Gilles; Marsh, Dan; Martin, Todd; Mauri, Andrea; Muratov, Eugene N.; Myatt, Glenn J.; Nguyen, Dac-Trung; Nicolotti, Orazio; Note, Reine; Pande, Paritosh; Parks, Amanda K.; Peryea, Tyler; Polash, Ahsan; Rallo, Robert; Roncaglioni, Alessandra; Rowlands, Craig; Ruiz, Patricia; Russo, Daniel; Sayed, Ahmed; Sayre, Risa; Sheils, Timothy; Siegel, Charles; Silva, Arthur C.; Simeonov, Anton; Sosnin, Sergey; Southall, Noel; Strickland, Judy; Tang, Yun; Teppen, Brian; V. Tetko, Igor; Thomas, Dennis; Tkachenko, Valery; Todeschini, Roberto; Toma, Cosimo; Tripodi, Ignacio; Trisciuzzi, Daniela; Tropsha, Alexander; Varnek, Alexandre; Vukovic, Kristijan; Wang, Zhongyu; Wang, Liguo; Waters, Katrina M.; Wedlake, Andrew J.; Wijeyesakere, Sanjeeva J.; Wilson, Dan; Xiao, Zijun; Yang, Hongbin; Zahoranszky-Kohalmi, Gergely; V. Zakharov, Alexey; Zhang, Fagen F.; Zhang, Zhen; Zhao, Tongan; Zhu, Hao; Zorn, Kimberley M.; Casey, Warren; Kleinstreuer, Nicole C.

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Research Directions