Computational Chemist (AI/ML)

Location: St Charles, MO, USA

Company

Eurofins Scientific is an international life sciences company providing analytical testing, drug discovery, clinical diagnostics, and related laboratory services through a global network.

What you will do

• Serve as the computational chemistry subject-matter expert for nonclinical research and development.
• Lead research projects and implement computational workflows supporting hit identification, lead optimization, and clinical candidate discovery.
• Develop and apply computer-aided drug design, molecular simulation, data-mining, and visualization methods.
• Analyze, interpret, integrate, and report research informatics data from internal teams and external clients.
• Partner with medicinal chemistry teams on docking, molecular scoring, rational drug design, and lead optimization.
• Coordinate data governance and communicate project status, risks, and strategies with chemistry leadership and cross-functional teams.

Requirements

• Demonstrated impact in drug discovery projects, including lead identification or optimization and compound progression.
• Strong medicinal chemistry knowledge with the ability to translate computational insights into design hypotheses.
• Experience with ligand-based design, QSAR, similarity searching, conformational analysis, FEP, and MM-GBSA.
• Experience curating large chemical and biological datasets and applying reproducible data-quality practices.
• Knowledge of AI/ML approaches in drug discovery, statistical validation, uncertainty analysis, and model performance metrics.
• Experience with cross-functional collaboration, software engineering practices, version control, reproducible pipelines, and technical communication.

Nice to have

• Exposure to ADMET prediction tools and their integration into drug design cycles.
• Leadership or mentoring experience and a track record of influencing cross-functional scientific decisions.

Culture & Benefits

• Full-time Monday–Friday schedule, 8 a.m.–5 p.m., with overtime as needed.
• Medical, dental, and vision coverage.
• Life and disability insurance.
• 401(k) plan with company match.
• Paid vacation and holidays.
• Travel to other Eurofins facilities is required.