Principal Scientist – Cheminformatics & Data Science

Espoo, Helsinki
Vakituinen
Täyspäiväinen

1 päivä sitten

Job Description:Your roleOrion 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.ResponsibilitiesYour 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

Computational Workflows & Tooling

Design and implement scalable, production-ready workflows for virtual screening, library design, and data analysis
Develop tools and pipelines that enable self-service data access and analysis for scientists
Ensure integration with enterprise platforms (e.g., LiveDesign) and internal infrastructure

Domain Leadership (Matrix)

Lead the cheminformatics and data science domain without direct reports
Guide a subgroup of data platform specialists and MLOps experts
Influence technical direction across the unit through scientific credibility and expertise

Collaboration & Impact

Work closely with computational scientists and project teams to align data science approaches with scientific needs
Translate complex scientific questions into robust computational strategies

External Contribution

Contribute to external scientific visibility through publications, open-source development, and collaborations

What you can expect from us

A scientifically ambitious environment with top-tier professionals
A unique opportunity to shape how cheminformatics and data science are applied at scale in drug discovery
Access to modern computational infrastructure and data platforms
Competitive salary, comprehensive benefits, and support for relocation

At Orion Pharma, your work creates true impact and well-being for our customers, patients and society at large. Our culture of friendliness, respect, mutual appreciation and diversity creates a safe working environment where you can strive for excellence. We offer a wealth of career paths and development opportunities that support the development of innovative solutions and improving the quality of life.Please visit our website to find further information about our values and Orion as an employer .What are we looking for?To be successful in this role, we expect you to have:

PhD in cheminformatics, computational chemistry, data science, or a related field
Significant experience applying cheminformatics and data science methods in an industrial drug discovery setting
Strong expertise in:

molecular representations, descriptors, and fingerprints
QSAR and ligand-based modeling approaches
chemical and biological data handling
Strong programming skills in Python and relevant libraries (e.g., RDKit, NumPy, pandas, scikit-learn)
Experience with:

SQL and data engineering concepts
HPC environments and Linux
workflow tools and reproducible computation
APIs and modern data infrastructure
Ability to define best practices and influence technical direction without formal authority
Strong communication skills and ability to explain complex concepts to multidisciplinary teams
Fluent written and spoken English

How to applyAre you interested in this opportunity? Please submit your resume and application letter detailing your relevant experience and why you are the best candidate to become our new colleague by 3 May 2026.If you have any questions related to the position, please contact Heikki Käsnänen, Head of Molecular Intelligence and Data, tel. +358 50 966 5279 on Monday 20 April between 15-17 EEST (Finnish time).We typically review applications already during the application period and may start interviewing candidates before the application deadline. Therefore, we invite you to send your application as soon as possible.#LI-ORIONApproved medical examination which also includes drug testing is required prior to the employment. We will also carry out a security clearance prior to the employment for the selected person.Your new teamOrion's pharmaceutical innovations are created within its R&D organization. We employ around 400 top professionals in the field of drug discovery and development. We work globally: in Espoo and Turku in Finland, in Cambridge and Nottingham in England and in Cambridge, MA, USA. Orion R&D and the Innovative Medicines business division are dedicated to making a transformation to become a global player in the pain and oncology therapy areas.Our Medicine Design Department plays a crucial role in drug discovery, from target validation to clinical candidate nomination. The Molecular Intelligence and Data unit provides deep computational insight to support small molecule discovery. Our work integrates cheminformatics, computational chemistry, physics-based modeling, structural biology, and ML/AI approaches to enable data-driven drug design. We also develop and maintain robust data platforms supporting medicinal chemistry.About Us:Orion Pharma is a globally operating Nordic pharmaceutical company - a builder of well-being for over a hundred years.We're home to more than 4,000 Orionees around the world, and we're proud to be known as a responsible employer and a great place to work. At Orion Pharma, people are truly valued and trusted, encouraged to grow, and supported by a culture where every voice is heard. We appreciate each other, strive for excellence, and build the future.Together we develop, manufacture, and market human and veterinary pharmaceuticals and active pharmaceutical ingredients. Our extensive portfolio includes proprietary and generic medicines as well as consumer health products. The core therapy areas of our pharmaceutical R&D are oncology and pain. Proprietary products developed by Orion Pharma are used to treat cancer, neurological diseases, respiratory diseases, and more.We offer careers with a clear purpose: empowering people to live their lives to the fullest.

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