Computer Aided Drug Design, AI/ML Expert

Role Summary

Senior Expert I/Senior Expert II, Data Science focused on Computer Aided Drug Design, AI/ML within Global Discovery Chemistry (GDC) of Biomedical Research in Cambridge, MA. Seek a researcher with a strong background in data science and/or computational chemistry to invent innovative medicines and advance drug discovery.

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 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 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.

Qualifications

• PhD in data science, machine learning, computational chemistry, engineering, or related field. In-lab experience with strong computational/data science experience also acceptable.
• 2+ years’ experience in scientific software development/programming (e.g., SOTA ML/scientific software libraries, RDKit, ML Ops, Python stack).
• Demonstrated track record of initiating, leading, or contributing to cutting-edge research in data science, ML, computational chemistry, or life sciences.
• Curiosity, innovation, teamwork, and receptiveness to diverse perspectives; passion for growth.
• Ability to critically interpret results, generate new experimental hypotheses, take calculated risks, and make 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 (structure/ligand-based design, molecular dynamics, virtual screening, pharmacophore modeling).
• Experience working with project teams in an industrial drug discovery setting.