Senior Data Scientist I - Cheminformatics & ML

Novo Nordisk A/S
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Job Description

About the Department

The Molecular AI team is part of Novo Nordisk’s Computational Drug Design (CDD) area where we apply and develop state of the art capabilities in predictive science, AI/ML and structure-based drug design. Scientists within CDD collaborate seamlessly with teams across the globe to invent better molecules faster. With an unbiased approach to drug modalities, in-house access to the newest screening techniques, and world-class experimentation, we have a wealth of opportunities to impact our pipeline and ultimately save and improve patient lives. We work in multidisciplinary, highly collaborative discovery teams both locally and across Novo Nordisk’s global network to invent novel medicines by applying advanced computational techniques and developing innovative computational methods. We engage in external collaborations to ensure access to cutting edge research and technology.

Molecular AI is working to establish ourselves as global leaders in the research, development, and application of small molecule, peptides and RNA. We support cutting-edge research projects and develop innovative technologies in this field. We foster strong collaborations with Research Chemistry within our Global Research and Technology (GRT) organization and the Dicerna Transformational Research Unit (TRU). With a team of scientists located in both Denmark and the United States, we strive to deliver the latest advancements in small molecules, peptides and RNA to benefit patient health and global medicine.

We believe in the value of a diverse and inclusive culture. Together, we build and grow talent to ensure the development of new solutions. The team is comprised of collaborative, diverse and passionate people who have a true sense of pride in their work. We are committed to helping each other grow, and we are driven by the opportunity to make a difference in the lives of people living with chronic disease. Everything we do starts and ends with the patient. And, while changing the future of chronic disease treatment, such as diabetes and obesity, is no easy task, we also recognize the importance of an enjoyable workplace, which is why we’ve cultivated a culture of fun, ingenuity, and innovation. Our competitive compensation package and support of a healthy work-life balance all add to a best-in-class employee experience.

The Position

The Sr. Data Scientist I – Cheminformatics & ML will be a critical team member of Molecular AI and contribute to the research team's effort towards exploring and creating new technology and continuing to be a world leader in peptide drug design. The ideal candidate will have knowledge and experience in both advanced computational drug design methods and peptide therapeutic development. The successful candidate should have a high degree of proficiency in Python (or other scientific programming), machine learning libraries, cheminformatics tools and libraries, and cloud computing. A successful candidate will be able to develop complex workflows to support the selection, design and optimization of peptide modalities and formulations through the combination of atomistic and sequence based analysis methods. Furthermore, the candidate will show initiative in recognizing and addressing unmet scientific needs using internal and external data and the desire to grow outside their comfort zone.


The Sr. Data Scientist I – Cheminformatics & ML reports to the Associate Director of Molecular AI. They will have close interactions with scientists and experts within Research Chemistry. Additional internal partners include data scientists, specialists, engineers, software developers, technology scouts & partnership developers and others across US and Denmark. External relationships include commercial and academic collaboration partners.

Essential Functions

  • Scientific work.
  • Contribute to on-going portfolio projects within multiple therapy areas
  • Design and optimization of drug candidates using advanced computational techniques as a member of therapeutic project teams.
  • Development of innovative computational methods for peptide modeling.
  • Design ultra large peptide libraries and perform data analysis and generate learnings.
  • Deliver state of art methodologies and capabilities to the design and optimization of therapeutic peptides by applying bio/cheminformatics techniques, the latest machine learning and AI algorithms

Company Info.

Novo Nordisk A/S

Novo Nordisk A/S is a Danish multinational pharmaceutical company headquartered in Bagsværd, Denmark, with production facilities in eight countries, and affiliates or offices in five countries.

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    2880 Bagsværd, Denmark
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