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 continue to build on the existing team to achieve this goal. S/he will be a champion of promoting 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.

Work closely with Discovery

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

This individual will be responsible for technical consultation with our chemistry and biology experts and scientists, overseeing and leading scientific data governance, analytical tool development, computational chemistry methods development, and meta-analyses of internal and external data from multiple technologies.

• 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 the hit identification stage to the discovery of clinical candidate;
• Contribute to the development, implementation and utilization of state-of-the-art computational software, computer aided drug design and simulation techniques to help drive in silico drug discovery activities;
• Responsible for the analysis, interpretation, integration and reporting of research informatics data generated with internal teams and external clients;
• Partner with and support medicinal chemistry team during lead optimization related activities such as docking and scoring of the molecules from rational drug design;
• Apply or develop new tools or data-mining techniques for integrative analysis and visualization of large data sets;
• Participate in data governance objectives working closely with IT and the laboratory teams;
• Provide transparency and regular communication on project status, potential roadblocks for execution, and new strategies with Drug Discovery Chemistry leadership;
• Owns the accountability and responsibility of delivering to client needs and timeliness;
• Provides 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 (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 the computational sciences applied to drug development domain
  
  Travels to other Eurofins facilities is required. Percentage of working time of approximately 25-50%.

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.