Computational Chemist

Role Overview

• 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;

Requirements

• 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

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