Jonathan M Goodman

Scopus Author ID ResearcherID ORCID

Publication Activity (10 Years)

Years Active: 2016-2024
Publications (10 Years): 43

Top Venues

Journal of chemical information and modeling

Chemical research in toxicology

Chemical science

Journal of cheminformatics

University of Cambridge

This page only lists publications with an associated author ORCID identifier.

Affiliation History

University of Cambridge

United Kingdom

Professor of Chemistry :: Chemistry

Publications

Dipanjana Choudhury, Ching Ching Lam, Nadia L Farag, Jonathan Slaughter, Andrew D Bond, Jonathan M Goodman, Dominic S Wright
Suppressing Cis/Trans 'Ring-Flipping' in Organoaluminium(III)-2-Pyridyl Dimers-Design Strategies Towards Lewis Acid Catalysts for Alkene Oligomerisation. Chemistry (Weinheim an der Bergstrasse, Germany) 30 (28) (2024)
Ruslan Kotlyarov, Konstantinos Papachristos, Geoffrey P F Wood, Jonathan M Goodman
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity. Journal of chemical information and modeling 64 (10) (2024)
Martin Priessner, Richard J Lewis, Magnus J Johansson, Jonathan M Goodman, Jon Paul Janet, Anna Tomberg
HSQC Spectra Simulation and Matching for Molecular Identification. Journal of chemical information and modeling (2024)
Ruslan Kotlyarov, Konstantinos Papachristos, Geoffrey P F Wood, Jonathan M Goodman
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity. Journal of chemical information and modeling 64 (10) (2024)
Martin Priessner, Richard J Lewis, Magnus J Johansson, Jonathan M Goodman, Jon Paul Janet, Anna Tomberg
HSQC Spectra Simulation and Matching for Molecular Identification. Journal of chemical information and modeling 64 (8) (2024)
Ruslan Kotlyarov, Konstantinos Papachristos, Geoffrey P F Wood, Jonathan M Goodman
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity. Journal of chemical information and modeling (2024)
Martin Priessner, Richard J Lewis, Magnus J Johansson, Jonathan M Goodman, Jon Paul Janet, Anna Tomberg
HSQC Spectra Simulation and Matching for Molecular Identification. Journal of chemical information and modeling 64 (8) (2024)
Jonathan M Goodman, Jolene P Reid, Judy I-Chia Wu
Introduction to Computational Organic Chemistry. Organic & biomolecular chemistry (2024)
Dipanjana Choudhury, Ching Ching Lam, Nadia L Farag, Jonathan Slaughter, Andrew D Bond, Jonathan M Goodman, Dominic S Wright
Suppressing Cis/Trans 'Ring-Flipping' in Organoaluminium(III)-2-Pyridyl Dimers-Design Strategies Towards Lewis Acid Catalysts for Alkene Oligomerisation. Chemistry (Weinheim an der Bergstrasse, Germany) (2024)
Martin Priessner, Richard J Lewis, Magnus J Johansson, Jonathan M Goodman, Jon Paul Janet, Anna Tomberg
HSQC Spectra Simulation and Matching for Molecular Identification. Journal of chemical information and modeling 64 (8) (2024)
Ruslan Kotlyarov, Konstantinos Papachristos, Geoffrey P F Wood, Jonathan M Goodman
Leveraging Language Model Multitasking To Predict C-H Borylation Selectivity. Journal of chemical information and modeling 64 (10) (2024)
Martin Priessner, Richard J Lewis, Magnus J Johansson, Jonathan M Goodman, Jon Paul Janet, Anna Tomberg
HSQC Spectra Simulation and Matching for Molecular Identification. Journal of chemical information and modeling 64 (8) (2024)
Jonathan Lam, Richard J Lewis, Jonathan M Goodman
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence. Journal of cheminformatics 15 (1) (2023)
Mathew M Simpson, Ching Ching Lam, Jonathan M Goodman, Samantha Kendrick
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (26) (2023)
Ching Ching Lam, Jonathan M Goodman
Reaction dynamics as the missing puzzle piece: the origin of selectivity in oxazaborolidinium ion-catalysed reactions. Chemical science 14 (43) (2023)
Ching Ching Lam, Jonathan M Goodman
CONFPASS: Fast DFT Re-Optimizations of Structures from Conformation Searches. Journal of chemical information and modeling (2023)
Daniel S Wigh, Matthieu Tissot, Patrick Pasau, Jonathan M Goodman, Alexei A Lapkin
Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm. The journal of physical chemistry. A 127 (11) (2023)
Kerstin von Borries, Hanna Holmquist, Marissa Kosnik, Katie V Beckwith, Olivier Jolliet, Jonathan M Goodman, Sumesh Sukumara
Potential for Machine Learning to Address Data Gaps in Human Toxicity and Ecotoxicity Characterization. Environmental science & technology (2023)
Jonathan Lam, Richard J Lewis, Jonathan M Goodman
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence. Journal of cheminformatics 15 (1) (2023)
Daniel S Wigh, Matthieu Tissot, Patrick Pasau, Jonathan M Goodman, Alexei A Lapkin
Quantitative In Silico Prediction of the Rate of Protodeboronation by a Mechanistic Density Functional Theory-Aided Algorithm. The journal of physical chemistry. A (2023)
Mathew M Simpson, Ching Ching Lam, Jonathan M Goodman, Samantha Kendrick
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis. Angewandte Chemie (Weinheim an der Bergstrasse, Germany) 135 (26) (2023)
Jonathan Lam, Richard J Lewis, Jonathan M Goodman
Interpreting vibrational circular dichroism spectra: the Cai•factor for absolute configuration with confidence. Journal of cheminformatics 15 (1) (2023)
Mathew M Simpson, Ching Ching Lam, Jonathan M Goodman, Samantha Kendrick
Selective Functionalisation of 5-Methylcytosine by Organic Photoredox Catalysis. Angewandte Chemie (International ed. in English) (2023)
Sanha Lee, Kristaps Ermanis, Jonathan M Goodman
MolE8: finding DFT potential energy surface minima values from force-field optimised organic molecules with new machine learning representations. Chemical science 13 (24) (2022)
Alexander Howarth, Jonathan M Goodman
The DP5 probability, quantification and visualisation of structural uncertainty in single molecules. Chemical science 13 (12) (2022)
Guillermo Caballero-García, Jonathan M Goodman
N-Triflylphosphoramides: highly acidic catalysts for asymmetric transformations. Organic & biomolecular chemistry 19 (44) (2021)
Ikenna E Ndukwe, Xiao Wang, Nelson Y S Lam, Kristaps Ermanis, Kelsey L Alexander, Matthew J Bertin, Gary E Martin, Garrett Muir, Ian Paterson, Robert A Britton, Jonathan M Goodman, Eric J N Helfrich, Jörn Piel, William H Gerwick, Robert Thomas Williamson
Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A. Chemical communications (Cambridge, England) 56 (55) (2021)
Jonathan M Goodman, Igor V Pletnev, Paul A Thiessen, Evan E Bolton, Stephen R Heller
InChI version 1.06: now more than 99.99% reliable. Journal of cheminformatics 13 (1) (2021)
Timothy E H Allen, Andrew J Wedlake, Elena Gelžinytė, Charles Gong, Jonathan M Goodman, Steve Gutsell, Paul J Russell
Neural network activation similarity: a new measure to assist decision making in chemical toxicology. Chemical science 11 (28) (2020)
Andrew J Wedlake, Timothy E H Allen, Jonathan M Goodman, Steve Gutsell, Predrag Kukic, Paul J Russell
Confidence in Inactive and Active Predictions from Structural Alerts. Chemical research in toxicology 33 (12) (2020)
Alexander Howarth, Kristaps Ermanis, Jonathan M Goodman
DP4-AI automated NMR data analysis: straight from spectrometer to structure. Chemical science 11 (17) (2020)
Timothy E H Allen, Mark D Nelms, Stephen W Edwards, Jonathan M Goodman, Steve Gutsell, Paul J Russell
In Silico Guidance for In Vitro Androgen and Glucocorticoid Receptor ToxCast Assays. Environmental science & technology 54 (12) (2020)
Kristaps Ermanis, Avene C Colgan, Rupert S J Proctor, Barbara W Hadrys, Robert J Phipps, Jonathan M Goodman
A Computational and Experimental Investigation of the Origin of Selectivity in the Chiral Phosphoric Acid Catalyzed Enantioselective Minisci Reaction. Journal of the American Chemical Society 142 (50) (2020)
Andrew J Wedlake, Maria Folia, Sam Piechota, Timothy E H Allen, Jonathan M Goodman, Steve Gutsell, Paul J Russell
Structural Alerts and Random Forest Models in a Consensus Approach for Receptor Binding Molecular Initiating Events. Chemical research in toxicology 33 (2) (2020)
Sanha Lee, Jonathan M Goodman
Rapid Route-Finding for Bifurcating Organic Reactions. Journal of the American Chemical Society 142 (20) (2020)
Alex J Plajer, Sanha Lee, Andrew D Bond, Jonathan M Goodman, Dominic S Wright
Charge-assisted phosph(v)azane anion receptors. Dalton transactions (Cambridge, England : 2003) 49 (11) (2020)
Marcus W H Wang, Jonathan M Goodman, Timothy E H Allen
Machine Learning in Predictive Toxicology: Recent Applications and Future Directions for Classification Models. Chemical research in toxicology 34 (2) (2020)
Kristaps Ermanis, Kevin E B Parkes, Tatiana Agback, Jonathan M Goodman
The optimal DFT approach in DP4 NMR structure analysis - pushing the limits of relative configuration elucidation. Organic & biomolecular chemistry 17 (24) (2019)
Timothy E H Allen, Jonathan M Goodman, Steve Gutsell, Paul J Russell
Quantitative Predictions for Molecular Initiating Events Using Three-Dimensional Quantitative Structure-Activity Relationships. Chemical research in toxicology 33 (2) (2019)
Timothy E H Allen, Matthew N Grayson, Jonathan M Goodman, Steve Gutsell, Paul J Russell
Using Transition State Modeling To Predict Mutagenicity for Michael Acceptors. Journal of chemical information and modeling 58 (6) (2018)
Jolene P Reid, Jonathan M Goodman
Transfer hydrogenation of ortho-hydroxybenzophenone ketimines catalysed by BINOL-derived phosphoric acid occurs by a 14-membered bifunctional transition structure. Organic & biomolecular chemistry 15 (33) (2018)
Jolene P Reid, Jonathan M Goodman
Selecting Chiral BINOL-Derived Phosphoric Acid Catalysts: General Model To Identify Steric Features Essential for Enantioselectivity. Chemistry (Weinheim an der Bergstrasse, Germany) 23 (57) (2017)
Timothy E H Allen, Jonathan M Goodman, Steve Gutsell, Paul J Russell
A History of the Molecular Initiating Event. Chemical research in toxicology 29 (12) (2016)

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Publication Activity (10 Years)

Top Topics

Top Venues

Jonathan M Goodman