Computer Aided Drug Design, AI/ML Expert

Research
Cambridge, MA

Summary

At Global Discovery Chemistry (GDC) of Biomedical Research in Cambridge, MA, we are at the heart of Novartis' purpose. We are seeking a highly motivated and passionate researcher with a strong scientific background in data science and/or computational chemistry, a curious mindset, and cultural agility to invent innovative medicines and advance the frontiers of drug discovery.

About the Role

Internal Job Title: Senior Expert I/Senior Expert II, Data Science

Position Location: Cambridge, MA, onsite #LI-Onsite

About this role:

At Global Discovery Chemistry (GDC) of Biomedical Research in Cambridge, MA, we are at the heart of Novartis' purpose. We are seeking a highly motivated and passionate researcher with a strong scientific background in data science and/or computational chemistry, a curious mindset, and cultural agility to invent innovative medicines and advance the frontiers of drug discovery.

Your Responsibilities:

  • Collaborate in a multidisciplinary team to discover and develop novel therapies across various disease areas.
  • Apply, develop, and integrate state-of-the-art machine-learning, cheminformatics, and physics-based algorithms to accelerate and impact our portfolio projects.
  • Utilize data science and statistical methods to develop scientific hypotheses and contribute to data-driven drug discovery.
  • Combine machine learning with physics-based methods and adaptive automation to build and automate advanced computational workflows, enhancing our medicinal chemistry projects.
  • Communicate scientific results at project and group meetings, decision boards, and external conferences.
  • Contribute to patent inventorship with novel ideas, scientific publications, and presentations.
  • Participate in global initiatives shaping the future of drug discovery at Novartis.

What you will bring to the role:

  • PhD in data science, machine learning, computational chemistry, engineering or related field. Candidates with an in-lab experience combined with strong computational and/or data science experience are also encouraged to apply.
  • 2+ years’ experience in scientific software development/programming, e.g. SOTA ML/scientific software libraries, RDKit, ML Ops, and the scientific Python tech stack.
  • Demonstrated track record of initiating, leading, or being a key contributor to cutting edge research in data science, machine learning, computational chemistry, or life sciences
  • An attitude of curiosity, innovation, teamwork, and receptiveness to diverse perspectives, coupled with a passion for personal and professional growth
  • Critically interpret results, build new experimental hypotheses, take calculated risks and smart decisions
  • Ability to work in a fast-paced, team-oriented, matrixed environment
  • Excellent oral and written communication, and strong influencing skills

Desirable Skills:

  • Experience in computer-aided drug design, e.g. structure/ligand-based drug design, molecular dynamics, virtual screening, pharmacophore modeling
  • Experience working with project teams in an industrial drug discovery setting

The salary for this position is expected to range between: Senior Expert I, Data Science: $119,700 and $222,300 per year, and Senior Expert II, Data Science: $132,300 and $245,700 per year. The final salary offered is determined based on factors like, but not limited to, relevant skills and experience, and upon joining Novartis will be reviewed periodically. Novartis may change the published salary range based on company and market factors.


Your compensation will include a performance-based cash incentive and, depending on the level of the role, eligibility to be considered for annual equity awards.


US-based eligible employees will receive a comprehensive benefits package that includes health, life and disability benefits, a 401(k) with company contribution and match, and a variety of other benefits. In addition, employees are eligible for a generous time off package including vacation, personal days,
holidays and other leaves.


To learn more about the culture, rewards and benefits we offer our people click here .

Why Novartis: Helping people with disease and their families takes more than innovative science. It takes a community of smart, passionate people like you. Collaborating, supporting and inspiring each other. Combining to achieve breakthroughs that change patients’ lives. Ready to create a brighter future together?

Benefits and Rewards: Learn about all the ways we’ll help you thrive personally and professionally.
Read our handbook (PDF 30 MB)

EEO Statement:

The Novartis Group of Companies are Equal Opportunity Employers. We do not discriminate in recruitment, hiring, training, promotion or other employment practices for reasons of race, color, religion, sex, national origin, age, sexual orientation, gender identity or expression, marital or veteran status, disability, or any other legally protected status.

Accessibility & Reasonable Accommodations

The Novartis Group of Companies are committed to working with and providing reasonable accommodation to individuals with disabilities. If, because of a medical condition or disability, you need a reasonable accommodation for any part of the application process, or to perform the essential functions of a position, please send an e-mail to [email protected] or call +1(877)395-2339 and let us know the nature of your request and your contact information. Please include the job requisition number in your message.

Posted 2025-12-02

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