Principal Scientist - Cheminformatics & Data Science

About this role

Responsibilities

• Orion Pharma is seeking a highly experienced and scientifically driven Principal Scientist - Cheminformatics & Data Science to join our Molecular Intelligence and Data unit.
• This is a key role for a recognized expert in cheminformatics who is motivated to shape how data and modeling are applied across drug discovery at scale. You will define best practices, build robust computational workflows, and ensure that cheminformatics and data science approaches are scientifically sound, reproducible, and impactful.
• This is not a people manager role, but a principal-level individual contributor position with domain leadership responsibility.
• As a Principal Scientist, you will act as the domain leader for cheminformatics and data science, working across a highly multidisciplinary environment that includes computational chemists, ML/AI scientists, and data platform experts.
• Your focus is not on isolated project work, but on defining and enabling how cheminformatics and data science are done across the organization - from molecular representations and modeling approaches to data pipelines and computational workflows.
• This is a full-time permanent position based in Cambridge, UK or Espoo, Finland. You will report to Head of Molecular Intelligence and Data.
• Your primary responsibilities will include:
• Cheminformatics & Scientific Excellence
• Drive best practices in cheminformatics, including molecular representations, descriptors, fingerprints, and QSAR methodologies
• Ensure modeling approaches are interpretable, reliable, and relevant for decision-making
• Identify and develop novel cheminformatics methods with clear impact on drug discovery
• Data Science & Modeling Standards
• Define and implement standards for reproducible modeling, data quality, and workflow design
• Ensure consistency and robustness across chemical and biological data analysis
• Provide transparent assessments of model performance, limitations, and uncertainty