Senior Principal Scientist, Applied AI & Agentic Systems for Small-Molecule Drug Discovery

Vertex Pharmaceuticals seeks a senior scientific leader to advance artificial intelligence and agentic systems in small-molecule drug discovery. This role bridges computational drug design, data science, and engineering to develop AI-enabled workflows that enhance molecular design, hypothesis generation, and decision-making across the discovery-to-analysis cycle.

Responsibilities

• Drive strategic application of AI and agentic systems across small-molecule drug discovery and related modalities
• Partner with project teams to develop and deploy AI co-scientists supporting design, analysis, and lead optimization
• Define scientific evaluation frameworks and establish success metrics for AI-enabled workflows
• Serve as scientific bridge between Drug Discovery, Data & Methods, and Digital Technology & Engineering teams
• Lead adoption through scientist engagement, education, and change management while ensuring responsible AI compliance

Requirements

• Ph.D. in Computational Chemistry, Chemistry, Computer Science, Data Science, Engineering, or related discipline
• 8+ years applying computational chemistry and cheminformatics to small-molecule drug discovery programs
• Deep expertise in computational chemistry, cheminformatics, machine learning, or scientific data science
• Strong understanding of large language models, agentic systems, and AI-assisted scientific applications
• Demonstrated ability to define evaluation frameworks and validation strategies for AI research tools
• Proven track record leading cross-functional initiatives and driving organizational transformation
• Experience with protein therapeutics or emerging therapeutic modalities strongly preferred