Computational Chemist

Job Description

Eurofins Discovery is very 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.

Given the expanding scope of the Drug Discovery Chemistry group's operations, the successful candidate will have the opportunity to build on the existing team to achieve these goals, championing computational sciences as an integral part of Hit Finding campaigns, modern ML/AI‑supported drug discovery, and Eurofins flagship Integrated Drug Discovery Programs under Discovery One. The role works closely with Discovery

AI business to support/lead Eurofins Discovery wider AI‑based initiatives.

• 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 multidisciplinary team focused on moving projects from hit identification to discovery of clinical candidates.
• 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 discovery activities.
• Analyze, interpret, integrate and report research informatics data generated with internal teams and external clients.
• Partner with and support medicinal chemistry during lead optimization activities such as docking and scoring of 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 for execution, and new strategies with Drug Discovery Chemistry leadership.
• Own the accountability and responsibility of delivering to client needs on time.
• Provide cross‑functional support to other departments as required.

• 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 (QSAR, similarity searching, conformational analysis).
• Knowledge of free energy methods (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 (deep learning, generative models) and their appropriate use cases.
• Ability to design, validate, and benchmark computational workflows rather than solely 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 influence cross‑functionally and to be sought after as a technical expert in computational sciences applied to drug development.
• Travel to other Eurofins facilities is required.

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

• 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.

Eurofins USA Discovery Services is a Disabled and Veteran Equal Employment Opportunity employer.