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

A Computational and Experimental Investigation of the Origin of Selectivity in the Chiral Phosphoric Acid Catalyzed Enantioselective Minisci Reaction

K Ermanis, AC Colgan, RSJ Proctor, BW Hadrys, RJ Phipps, JM Goodman

Journal of the American Chemical Society

(2020)

142

21091

(doi: 10.1021/jacs.0c09668)

Neural network activation similarity: a new measure to assist decision making in chemical toxicology.

TEH Allen, AJ Wedlake, E Gelžinytė, C Gong, JM Goodman, S Gutsell, PJ Russell

Chemical science

(2020)

11

7335

(doi: 10.1039/d0sc01637c)

Synergism of anisotropic and computational NMR methods reveals the likely configuration of phormidolide A

I Paterson, IE Ndukwe, X Wang, NYS Lam, K Ermanis, KL Alexander, MJ Bertin, GE Martin, G Muir, R Britton, JM Goodman, EJN Helfrich, J Piel, WH Gerwick, RT Williamson

Chemical Communications

(2020)

(doi: 10.1039/d0cc03055d)

In Silico Guidance for in Vitro Androgen and Glucocorticoid Receptor ToxCast Assays

TEH Allen, MD Nelms, SW Edwards, JM Goodman, S Gutsell, PJ Russell

Environ Sci Technol

(2020)

54

7461

(doi: 10.1021/acs.est.0c01105)

Rapid Route-Finding for Bifurcating Organic Reactions.

S Lee, JM Goodman

Journal of the American Chemical Society

(2020)

142

9210

(doi: 10.1021/jacs.9b13449)

Charge-assisted phosph(v)azane anion receptors.

AJ Plajer, S Lee, AD Bond, JM Goodman, DS Wright

Dalton Trans

(2020)

49

3403

(doi: 10.1039/d0dt00489h)

DP4-AI automated NMR data analysis: straight from spectrometer to structure.

A Howarth, K Ermanis, JM Goodman

Chem Sci

(2020)

11

4351

(doi: 10.1039/d0sc00442a)

Quantitative Predictions for Molecular Initiating Events Using Three-Dimensional Quantitative Structure–Activity Relationships

TEH Allen, JM Goodman, S Gutsell, PJ Russell

Chemical Research in Toxicology

(2020)

33

324

(doi: 10.1021/acs.chemrestox.9b00136)

DP4-AI Automated NMR Data Analysis: Straight from Spectrometer to Structure

A Howarth, K Ermanis, J Goodman

Chemical Science

(2020)

(doi: 10.26434/chemrxiv.11763255.v1)

DP4-AI Automated NMR Data Analysis: Straight from Spectrometer to Structure

A Howarth, K Ermanis, J Goodman

chemrxiv

(2020)

(doi: 10.26434/chemrxiv.11763255)