Lead Cheminformatician

Company: Novo Nordisk
Location: Lexington
Posted on: March 13, 2026

Job Description:

About the Department Digital Chemistry and Design (DCD) is the Novo Nordisk organization where we implement and apply state of the art capabilities in data science, physics-based and AI/ML predictive and generative modeling to enable both ligand and structure-based drug design. Scientists within DCD 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 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 innovative research and technology. In Silico Small Molecule & Cross Modality Discovery (ISCM) is dedicated to the research and development of small molecule, macrocycles and bioconjugate therapeutics. Our role is two-fold: support cutting-edge pharmaceutical research projects and develop innovative computational technologies in the digital chemistry field. To be successful, we foster strong collaborations with our Therapeutics Discovery (TD) organization and colleagues across the Artificial Intelligence and Digital Innovation (ADI) organization. Our mission is to advance pharmaceutical projects through delivery of expert insights, in silico models and computational chemistry capabilities to enable in silico drug design and benefit patients across the globe. We believe in the value of a diverse and inclusive culture. Together, we build and grow talent to ensure the development of novel 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 have 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 Lead Data Scientist – Cheminformatics will contribute to the Digital Chemistry team's effort towards exploring, implementing, and applying cheminformatics tools and platforms to achieve its goals. The Lead Data Scientist – Cheminformatics will have knowledge and experience in pharmaceutical data analysis and modeling, advanced computational drug design methods and pharmaceutical project support. They will have a high degree of proficiency in Python (or other scientific programming), machine learning libraries, cheminformatics tools and methods, and HPC/cloud computing. They will be able to implement and execute complex workflows to prepare screening data, generate predictive ML/AI models, execute virtual screening, and perform small molecule design and optimization through use of data science and cheminformatics. The Lead Data Scientist - Cheminformatics will champion an in-silico first mindset and show initiative in recognizing and addressing unmet scientific needs using internal and external data. Open to hiring at more senior titles commensurate with experience Relationships The Lead Data Scientist – Cheminformatics reports to the Director of ISCM but works closely across the DCD organization. They will have close interactions with scientists and experts within Medicinal Chemistry, Quantitative Biology and ADME & Tox. Additional internal partners include data scientists, data engineers, ML specialists, software developers and others across US, UK, and Denmark. External relationships include commercial and academic collaboration partners. Essential Functions Advance DCD pharmaceutical project portfolio through digital chemistry tools and approaches.Implement, augment and support digital chemistry workflows and platforms to democratize access to data, tools and models and enable an “in silico first” mindset. Deliver state of the art methodologies and capabilities for the design and optimization of chemical structures by applying data science, cheminformatics and AI/ML algorithms and techniques. Conceptualize approaches, identify capability gaps, and set goals within DCD. Represent ISCM as a technical/scientific lead on cross-functional research teams that include discovery and research ITMaintain a well-documented, reusable codebase, and traceable model historyMaintain scientific and technical expertise through familiarity with scientific literature and attending conferencesParticipate in the evaluation of external and internal capabilities and facilitate collaborations with external partners Present results to interdisciplinary teams of experimental, modeling scientists and machine learning colleagues Physical Requirements Up to 10% overnight travel required. Qualifications Master’s degree or PhD preferred. Bachelor’s degree required. Degree in Cheminformatics, Computational Chemistry, Computer Sciences or related quantitative field preferred Master’s Degree with 5 years’ relevant experience, or PhD with 4 years’ relevant experience, A Bachelor’s degree with 8 years’ relevant experience can be considered Relevant experience includes: Research experience in the field of small molecule drug discovery within industry or academia (industry preferred)Experience in peptide, oligo or bioconjugates cheminformatics will be considered an advantage.Proven track record of knowledge and use of cheminformatics and data science methods and toolsExperience with QSAR/QSPR modeling, machine learning, and AI methods.Extensive experience in scripting or programming languages such as Python or C++.Hands on experience with at least one major cheminformatics toolkit and artificial intelligence/machine learning platform (e.g. RDKit, PyTorch, Scikit-learn).Ability to perform in-depth data analysis and develop algorithms to solve complex problems.Excellent written and oral communication skillsDetail oriented with strong documentation skills Familiarity and working experience with a breadth of tasks of the Design-Make-Test-Analyze drug discovery cycle – highly preferred We commit to an inclusive recruitment process and equality of opportunity for all our job applicants. The base compensation range for this position is $120,300 to $222,600. Base compensation is determined based on a number of factors. This position is also eligible for a company bonus based on individual and company performance. Novo Nordisk offers long-term incentive compensation depending on the position's level or other company factors. Employees are also eligible to participate in Company employee benefit programs including medical, dental and vision coverage; life insurance; disability insurance; 401(k) savings plan; flexible spending accounts; employee assistance program; tuition reimbursement program; and voluntary benefits such as group legal, critical illness, identity theft protection, pet insurance and auto/home insurance. The Company also offers time off pursuant to its sick time policy, flex-able vacation policy, and parental leave policy. At Novo Nordisk, we're not chasing quick fixes – we're creating lasting change for long-term health. For over 100 years, we've been driven by a single purpose: to defeat serious chronic diseases and help millions of people live healthier lives. This dedication fuels our constant curiosity and inspires us to push the boundaries of what's possible in healthcare. We embrace diverse perspectives, seek out bold ideas, and build partnerships rooted in shared purpose. Together, we're making healthcare more accessible, treating and defeating diseases, and pioneering solutions that create change spanning generations. When you join us, you become part of something bigger – a legacy of impact that reaches far beyond today. Novo Nordisk is an equal opportunity employer. Qualified applicants will receive consideration for employment without regard to race, ethnicity, color, religion, sex, gender identity, sexual orientation, national origin, disability, protected veteran status or any other characteristic protected by local, state or federal laws, rules or regulations. If you are interested in applying to Novo Nordisk and need special assistance or an accommodation to apply, please call us at 1-855-411-5290. This contact is for accommodation requests only and cannot be used to inquire about the status of applications.

Keywords: Novo Nordisk, Hartford , Lead Cheminformatician, Science, Research & Development , Lexington, Connecticut