Skip to main content
Eli Lilly and Company logo

Director / Senior Director – Cheminformatics and Applied AI

Eli Lilly and Company
September 02, 2026
Full-time
On-site
Boston, MA
Other
Role: Senior scientific leader in Cheminformatics and Applied AI within Lilly's Early Molecule Discovery, focusing on advancing drug discovery programs through innovative computational methods. Responsibilities: develop and apply cheminformatics, AI/ML techniques to improve hit identification and hit-to-lead processes across small molecules, macrocyclic peptides, and molecular glues; drive platform strategy, collaborate across functional teams, influence discovery pipeline decisions, and mentor talent. Requirements: PhD in Cheminformatics, Computational Chemistry, or related field with 4+ years industry experience or BS/MS with 8+ years; proficiency in Python, SQL, cheminformatics tools (RDKit, OpenEye), ML libraries (PyTorch, scikit-learn); strong publication record and experience applying AI/ML in drug discovery. High-Value: expertise in modern data science applied to drug discovery, target classes aligned with Lilly's strategic interests, and leadership in cross-functional initiatives. WorkSetup: onsite at Lilly Research Laboratories with some travel required.