PhD: Cheminformatics & ML for PFAS-free Healthcare

Cph Ai Hub; Odense; Hybrid; DKK 379,000 - 454,000; Full time

Job summary

University of Southern Denmark’s SDU Life Cycle Engineering invites applications for a PhD fellowship in cheminformatics and machine learning. The role integrates chemistry, AI, and data science to advance chemical risk assessment for PFAS-free healthcare within the PFAROS consortium.

The position is based in Odense and affiliated with the Department of Green Technology. Responsibilities include data curation, model development, and collaboration across international partners, with a strong

Qualifications

• MSc degree (or equivalent) in chemistry, environmental science, chemical engineering, computer science, data science, bioinformatics, or related field.
• Strong interest in machine learning, cheminformatics, data science, and chemical risk assessment.
• Experience with programming in Python and scientific computing.
• Familiarity with machine learning methods, data management, and statistical analysis.
• Experience with chemical databases, molecular descriptors, QSAR models, or cheminformatics tools is an advantage.
• Excellent written and oral communication skills in English.

Responsibilities

• Collect, curate, and validate high-quality physicochemical, environmental, and hazard data for chemicals in commerce.
• Evaluate and document applicability domains and coverage of existing ML models for predicting chemical properties.
• Develop, train, validate, and benchmark new models for chemical property prediction, including ML and generative AI-based approaches.
• Contribute to integration of experimental data, computational methods, and ML workflows.
• Participate in collaborative research within the PFAROS consortium and interact with international partners.
• Contribute to publications, conference presentations, reports, and new research proposals.

Skills

Python programming

Machine learning

Data management

Communication skills

Independence & teamwork

Education

MSc in related field

Tools

Cheminformatics tools

Job description

University of Southern Denmark’s SDU Life Cycle Engineering invites applications for a PhD fellowship in cheminformatics and machine learning. The role integrates chemistry, AI, and data science to advance chemical risk assessment for PFAS-free healthcare within the PFAROS consortium.

The position is based in Odense and affiliated with the Department of Green Technology. Responsibilities include data curation, model development, and collaboration across international partners, with a strong