Senior Scientist, Scientific Workflows & Agentic Cheminformatics

Experteer Overview As a Senior Scientist in our In Silico Discovery group, you design and validate agent-enabled workflows to address high-value discovery questions. You collaborate with chemists, biologists, and data scientists to translate scientific problems into reusable, evidence-based workflows. You will prototype agentic approaches, evaluate their scientific validity, and prepare them for production use with cross-functional partners. This role blends deep cheminformatics expertise with AI-assisted methods to advance discovery capabilities and impact drug discovery at scale.

Compensaciones / Beneficios

• Build partnerships with medicinal chemists, ISD/CADD scientists, biologists, DMPK scientists, and data scientists to uncover opportunities in projects
• Translate complex scientific questions into defined workflows with explicit evidence and decisions
• Design meaningful use cases, reference datasets, and success criteria for rigorous evaluation
• Evaluate agent behavior for scientific validity, reproducibility, and relevance to discovery decisions
• Capture insights from early applications to guide further development
• Develop and test agentic prototypes using data, models, and tools to address scientific objectives
• Own agentic prototypes/workstreams, set success measures, and ensure value to discovery needs
• Support adoption of agentic capabilities by integrating into familiar scientific environments and training users
• Lead the design, prototyping, and validation of agent-enabled workflows and collaborate with data science and platform teams for production implementation

Responsabilidades

• PhD or equivalent substantial experience in cheminformatics, computational chemistry, medicinal chemistry, chemical biology, or related discipline
• Strong understanding of compound design and predictive models
• Strong Python programming skills and experience building automated workflows
• Hands-on experience with AI-assisted development for scientific software or workflows
• Ability to work independently and collaborate across scientific, data science, and technology teams
• Willingness to travel up to 10% domestically and internationally

Requisitos principales

• annual bonus with target % of pay
• vacation days
• parental leave for at least 12 weeks
• bereavement leave
• caregiver leave
• well-being reimbursement

Senior Scientist, Scientific Workflows & Agentic Cheminformatics Madrid, ES