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

Role: Scientific leader driving AI and agentic systems integration into small-molecule drug discovery, with extension to protein therapeutics and other modalities. Responsibilities: develop and deploy AI co-scientists supporting SAR analysis, compound design, hypothesis generation, and decision-making; establish evaluation frameworks and success metrics; lead platform strategy and responsible AI operations; collaborate across Discovery Research, Data & Methods, and Digital Technology teams; influence scientific strategy and adoption. Requirements: Ph.D. in Computational Chemistry, Chemistry, Computer Science, Data Science, or related fields; 8+ years applying computational chemistry, cheminformatics, and AI to drug discovery; expertise in AI technologies, scientific data science, and relevant workflows; experience in small-molecule programs and cross-functional leadership; strong communication skills. HighValue: small-molecule drug discovery, AI-enabled workflows, DMTA cycle optimization, computational chemistry, cheminformatics, AI governance, focus on scientific impact and operational efficiency; preferred experience with biologics or protein therapeutics. WorkSetup: hybrid Boston, 3 days onsite, with flexibility.