Lead Scientist, AI-Driven Reactivity Discovery

Eli Lilly and Company; San Francisco (CA); On-site; USD 177,000 - 308,000; Full time

Job summary

The Lilly Small Molecule Discovery (LSMD) group in South San Francisco seeks a scientific leader to own the Chemical Reactivity Landscape initiative, building a predictive map of reaction outcomes and actionable data to guide experiments.

This hands-on role combines quantum chemistry, machine learning, and high-throughput testing, directing modeling strategy, coordinating chemists and software teams, and enabling autonomous experimentation while ensuring rigorous data standards and collaboration

Qualifications

• Ph.D. in Chemistry or closely related field with 10+ years of relevant experience.
• Deep expertise in synthetic and HTE chemistry applied to organic reactivity with a track record of changing experimental decisions.
• Demonstrated expertise applying machine learning to chemical data, including reaction outcome, reaction condition, or molecular property prediction.
• Demonstrated experience leading, managing, and developing scientists across multiple career stages.
• Track record of owning a scientific capability or platform end to end: setting direction, deploying it to real users, and iterating based on adoption and impact.

Responsibilities

• Own the scientific vision for the Chemical Reactivity Landscape and define predictions and milestones with SIT in LSMD.
• Translate ambition into sequenced plans with milestones and communicate progress to senior R&D leadership.
• Lead, manage, and develop scientists across career stages; recruit and onboard as needed.
• Partner with computational chemistry to define theory and modeling approaches; drive descriptor strategies.
• Oversee autonomous experimentation and closed-loop discovery to ensure data is model-ready and interpretable.

Skills

Ph.D. in Chemistry or related field

Leadership of scientists

Applying machine learning to chemical/

Education

Ph.D. in Chemistry or related field

Tools

ChemDraw

SciFinder

Reaxys

Electronic lab notebooks

Data visualization platforms

Job description

The Lilly Small Molecule Discovery (LSMD) group in South San Francisco seeks a scientific leader to own the Chemical Reactivity Landscape initiative, building a predictive map of reaction outcomes and actionable data to guide experiments.

This hands-on role combines quantum chemistry, machine learning, and high-throughput testing, directing modeling strategy, coordinating chemists and software teams, and enabling autonomous experimentation while ensuring rigorous data standards and collaboration