Computational Chemist

Eurofins Scientific is an international life sciences company, providing a unique range of analytical testing services to clients across multiple industries, to make life and our environment safer, healthier and more sustainable. From the food you eat, to the water you drink, to the medicines you rely on, Eurofins works with the biggest companies in the world to ensure the products they supply are safe, their ingredients are authentic and labelling is accurate.

About the role

Eurofins Discovery is motivated to apply computational sciences, data visualization, bioinformatics and other data-driven approaches to all steps of the drug development process at every level of the organization. The successful candidate will have the opportunity to build on the existing team to champion computational sciences as an integral part of Hit Finding campaigns, modern ML/AI-supported drug discovery, and Eurofins' flagship Integrated Drug Discovery Programs under DiscoveryOne. This individual will work closely with DiscoveryAI business to support and lead Eurofins Discovery's wider AI-based initiatives.

Responsibilities

• Represent Computational Chemistry as the subject matter expert for nonclinical research and development.
• Independently pursue research projects, implement novel computational workflows, and support a dynamic multi-disciplinary team focused on moving projects from hit identification to clinical candidate discovery.
• Contribute to the development, implementation, and utilization of state-of-the-art computational software, computer-aided drug design, and simulation techniques to drive in silico drug discovery activities.
• Analyze, interpret, integrate, and report research informatics data generated with internal teams and external clients.
• Partner with and support the medicinal chemistry team during lead optimization activities such as docking and scoring molecules from rational drug design.
• Apply or develop new tools or data-mining techniques for integrative analysis and visualization of large datasets.
• Participate in data governance objectives, working closely with IT and laboratory teams.
• Provide transparency and regular communication on project status, potential roadblocks, and new strategies with Drug Discovery Chemistry leadership.
• Own accountability and responsibility for delivering to client needs and timelines.
• Provide cross-functional support to other departments as required.

Qualifications

• Proven track record of impact in drug discovery projects (e.g., contribution to lead identification/optimization, progression of compounds into development).
• Strong understanding of medicinal chemistry principles and the ability to translate computational insights into actionable design hypotheses.
• Experience with ligand-based design approaches (e.g., QSAR, similarity searching, conformational analysis).
• Knowledge of free energy methods (e.g., FEP, MM-GBSA) and their practical application/limitations.
• Experience handling and curating large chemical and biological datasets (data quality, standardization, reproducibility).
• Familiarity with modern AI/ML approaches in drug discovery (e.g., deep learning, generative models) and their appropriate use cases.
• Ability to design, validate, and benchmark computational workflows rather than only applying existing protocols.
• Strong statistical thinking and understanding of uncertainty, validation strategies, and model performance metrics.
• Experience working in cross-functional teams (medicinal chemistry, biology, DMPK) and communicating results to non-experts.
• Good software engineering practices (version control, reproducible pipelines, documentation).
• Exposure to ADMET prediction tools and integration into design cycles.
• Ability to critically assess experimental data (SAR, assay variability) and integrate it into modeling efforts.
• Leadership or mentoring experience.
• Strategic thinking in selecting and deploying computational, AI & ML approaches aligned with project goals.
• Proven ability to successfully influence cross-functionally and to be sought after as a technical expert within computational sciences applied to drug development.
• Travel to other Eurofins facilities is required.

Schedule

The position is full-time, Monday-Friday, 8 a.m. - 5 p.m., with overtime as needed.

Benefits

• Excellent full-time benefits including comprehensive medical coverage, dental, and vision options.
• Life and disability insurance.
• 401(k) with company match.
• Paid vacation and holidays.