Professor Jonathan Goodman | Yusuf Hamied Department of Chemistry

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

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

D Choudhury, CC Lam, NL Farag, J Slaughter, AD Bond, JM Goodman, DS Wright

Chemistry (Weinheim an der Bergstrasse, Germany)

(2024)

30

e202303872

(doi: 10.1002/chem.202303872)

HSQC Spectra Simulation and Matching for Molecular Identification.

M Priessner, RJ Lewis, MJ Johansson, JM Goodman, JP Janet, A Tomberg

Journal of Chemical Information and Modeling

(2024)

64

3180

(doi: 10.1021/acs.jcim.3c01735)

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

CC Lam, JM Goodman

Digital Discovery

(2024)

3

1878

(doi: 10.1039/d4dd00092g)

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

K von Borries, H Holmquist, M Kosnik, KV Beckwith, O Jolliet, JM Goodman, P Fantke

Environmental Science & Technology

(2023)

57

18259

(doi: 10.1021/acs.est.3c05300)

HSQC Spectra Simulation and Matching for Molecular Identification

M Priessner, A Tomberg, JP Janet, RJ Lewis, JM Goodman, MJ Jonahnsson

(2023)

(doi: 10.26434/chemrxiv-2023-x4b1g)

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

CC Lam, JM Goodman

J Chem Inf Model

(2023)

63

4364

(doi: 10.1021/acs.jcim.3c00649)

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

CC Lam, JM Goodman

(2023)

(doi: 10.26434/chemrxiv-2023-74p0j)

CONFPASS: fast DFT re-optimizations of structures from conformation searches

CC Lam, JM Goodman

(2023)

(doi: 10.26434/chemrxiv-2023-vhlgg-v2)

CONFPASS: fast DFT re-optimizations of structures from conformation searches

CC Lam, JM Goodman

(2023)

(doi: 10.26434/chemrxiv-2023-vhlgg)

Selective Functionalisation of 5‐Methylcytosine by Organic Photoredox Catalysis

MM Simpson, CC Lam, JM Goodman, S Balasubramanian

Angewandte Chemie (Weinheim an der Bergstrasse, Germany)

(2023)

135

e202304756

(doi: 10.1002/ange.202304756)