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University of York

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PhD in Machine Learning Guided Sustainable Automated Synthesis and Target-Based Screening of Metal-Based Antibiotics University of York in United Kingdom

Degree Level

PhD

Field of study

Computer Science

Funding

Fully funded four-year PhD studentship under the EPSRC Centre for Doctoral Training in Chemical Synthesis for a Healthy Planet. Funding includes 100% home fees, a minimum tax-free annual living allowance of £21,805 (2026/27 UKRI rate), and a £20,000 research training support grant. Candidates of any nationality may apply, with up to 30% of studentships available to exceptional international students. Visa costs and NHS surcharge are not covered.

Deadline

Nov 13, 2026

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Country

United Kingdom

University

University of York

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Keywords

Computer Science
Chemistry
Biomedical Engineering
Biology
Computational Chemistry
Inorganic Chemistry
Antibiotic Resistance
Medical Science
Pharmacy
Pharmaceutical Chemistry
ML

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About this position

PhD opportunity at the University of York in machine learning-guided sustainable automated synthesis and target-based screening of metal-based antibiotics.

This project sits at the interface of computational chemistry, inorganic chemistry, and pharmaceutical chemistry, with a strong focus on antimicrobial resistance, antibiotic discovery, and data-driven molecular design. The student will use miniaturised, automated high-throughput synthesis to prepare libraries of transition metal complexes, then screen them against bacterial target proteins such as transpeptidases and related cell wall enzymes. Experimental results will feed into a human-in-the-loop machine learning workflow to guide the design of improved second-generation libraries.

The project is delivered with the INEOS Oxford Institute for Antimicrobial Research and combines sustainable synthesis, automation, AI, and microbiology. Promising compounds will be resynthesised, characterised, and tested against isolated proteins and whole bacterial cells, including clinical isolates and isogenic strains.

This is a fully funded four-year PhD within the EPSRC Centre for Doctoral Training in Chemical Synthesis for a Healthy Planet. Funding includes home fees, a tax-free annual living allowance, and a research training support grant. The project is primarily based at the University of York, with training and collaboration across York and Oxford.

Eligibility: applicants should have, or expect to gain, at least a 2:1 Honours degree or equivalent in a relevant subject, usually chemistry or chemical engineering. Strong research motivation, independence, analytical ability, and communication skills are required. Candidates of any nationality may apply, though funding for international students is limited and competitive.

Deadline: first application deadline is 13 November 2026. Early application is encouraged because projects may be filled after the first round.

How to apply: submit the online PhD in Chemistry application, a 1000-word personal statement, your ranked project choices, transcripts, and two referee contacts. York applicants must also complete the EDI data form.

Funding details

Fully funded four-year PhD studentship under the EPSRC Centre for Doctoral Training in Chemical Synthesis for a Healthy Planet. Funding includes 100% home fees, a minimum tax-free annual living allowance of £21,805 (2026/27 UKRI rate), and a £20,000 research training support grant. Candidates of any nationality may apply, with up to 30% of studentships available to exceptional international students. Visa costs and NHS surcharge are not covered.

What's required

Applicants must have, or expect to gain, at least a 2:1 Honours degree or international equivalent in a subject relevant to the project, usually chemistry or chemical engineering. Enthusiasm for research, the ability to think and work independently, excellent analytical skills, and strong verbal and written communication skills are essential. English language requirements apply, and applicants should check the entry requirements for their country.

How to apply

Submit an online PhD in Chemistry application. Include a 1000-word personal statement, your 1-2-3 choice of substantive research projects, transcripts, and contact details for two academic/professional referees. York applicants must also complete the CSHP CDT EDI data form.

More information can be found here

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