We are looking for a motivated and committed Computational Toxicologist (m/f/d) for our client, F. Hoffmann-La Roche Ltd. based in Basel, for a 12 month assignment.
Passionate about using data and machine learning to improve medicine safety? At Roche, we're developing next-generation in silico tools to support safer, faster drug discovery. We're seeking a Computational Toxicologist to create AI-driven solutions that predict toxicological risks and turn data into actionable insights.
Join our interdisciplinary team at the intersection of cheminformatics, data science, toxicology, and drug development. You'll apply cutting-edge machine learning, integrate diverse data types, and support discovery teams with in silico safety assessments and scientific guidance.
Tasks
- Design, develop, and apply machine learning models to predict safety-relevant endpoints (e.g., liver or kidney toxicity) using chemical structure and biological data
- Integrate chemoinformatics and in vitro safety data, with the potential to expand toward transcriptomics or other omics technologies
- Provide in silico support for discovery and early development programs, offering scientific insights into potential safety risks
- Leverage internal data and external knowledge bases to enhance model performance and interpretability
- Collaborate closely with toxicologists, pharmacologists, data scientists, and chemists to co-create solutions and ensure models are meaningful and relevant
- Contribute to broader efforts such as biological read-across, reverse translation of historical data, and refinement of digital workflows for safety decision-making
Must Haves
- You're a proactive and creative scientist who thrives at the intersection of data, biology, and chemistry. You are interested in toxicology and enjoy solving complex problems collaboratively and are driven by impact and scientific curiosity
- PhD or MSc (with relevant experience) in Computational Toxicology, Cheminformatics, Bioinformatics, Data Science, Pharmacology, or a related field
- Solid experience in developing machine learning models, ideally applied to chemical and biological data
- Strong foundation in cheminformatics/chemistry, including working with molecular descriptors, chemical similarity, and structure-based analyses.
- Experience with toxicological datasets and safety endpoints such as DILI or nephrotoxicity
- Familiarity with in vitro safety data and an interest in integrating complex biological datasets
- Proficient in programming (e.g., Python, R) and using scientific computing libraries (e.g., RDKit, scikit-learn, Pandas, TensorFlow, or similar)
- Excellent communication and collaboration skills; able to translate technical insights for interdisciplinary teams
Benefits
- Enjoy exclusive discounts all year round at renowned retailers and over 200 top brands
- Benefit from fleet discounts when purchasing a new car or receive consistent fuel discounts with our fuel card
- Be part of one of the most prestigious pharmaceutical companies and actively shape the future of healthcare
- Work on a state-of-the-art campus with green spaces, social areas, and an inspiring atmosphere
- Take advantage of attractive fitness and swimming pool offers or use the gaming room as a creative retreat
Have we sparked your interest?
Don't hesitate and submit your complete application documents online today.
We look forward to hearing from you!
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