Jonathan D Hirst

44PUBLICATIONS
106CO-AUTHORS
Biomolecular modelling and designComputational chemistryMedical devicesBioprocessing, bioproduction and bioproductsProcess control and simulation
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Publications (44)

|Jun 16, 2026
PyMolGen: Database-Driven Molecular Generation of Drug-Like Compounds.

|May 28, 2026
Proposed Biosynthesis of the Complex Ring-Fused Diterpene Rameswaralide. Mechanistic Insights Using Density Functional Theory.

|Apr 24, 2026
Rega: A Platform for the Prediction of the Regioselectivity of C-H Functionalization Reactions.

|Jan 10, 2026
DyeDactic workflow to predict halochromism of biosynthetic colourants.

Dmitry S Karlov, Rodolfo Marques, Richard J Wheatley

|Nov 27, 2025
Explainable random forest predictions of polyester biodegradability using high-throughput biodegradation data.

Philippa L Jacob, Madeleine I Parker, Daniel J Keddie

|Nov 14, 2025
DMPE: A Dual-Branch Molecular Property Encapsulation Framework With Kolmogorov-Arnold Networks.

Lihui Duo, Bencan Tang, Jonathan D Hirst

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Frequent Collaborators

6 joint publications

David M Rogers

5 joint publications

Bencan Tang

4 joint publications

Magnus W D Hanson-Heine

3 joint publications

Steven M Howdle