Director / Senior Director – Cheminformatics and Applied AI
Eli Lilly and Company
September 02, 2026
On-site
Boston, MA
IT
Overview / Role Summary
Director/Senior Director of Cheminformatics and Applied AI (scientific vision, organizational leadership, enterprise influence).
Key Responsibilities
- Serve as a recognized expert in cheminformatics and applied AI/ML delivering high-impact strategies that resolve critical project challenges.
- Develop/apply cheminformatics, statistical, and AI/ML methods to improve hit identification and hit-to-lead across DEL, HTS, VS, fragment/affinity approaches; across modalities (small molecule, macrocyclic peptide, molecular glues).
- Drive analytical/ML methodology for the DEL platform (enrichment/denoising of selection data, DEL-trained models) and extend to VS of ultra-large synthesizable chemical space.
- Identify hard scientific problems limiting progress and lead solution development.
- Stay current on external advances; evaluate, adapt, and deploy relevant innovations.
- Partner with Computational Chemistry/Cheminformatics leadership; advise senior leadership; influence portfolio decisions.
- Mentor/develop diverse talent; lead complex cross-functional initiatives; champion open, evidence-based scientific debate.
- Model safety-first practice and follow safety/environmental/regulatory compliance.
Basic Requirements
- PhD in Cheminformatics, Computational Chemistry, Chemical Engineering, or related field with 4+ years drug discovery experience (pharma/biotech); or BS/MS with 8+ years equivalent experience.
Additional Preferences / Skills
- Scientific leadership shaping capabilities/culture/strategy.
- Proven drug-hunter experience; modern data science for drug discovery (predictive modeling, generative design, representations, validation/uncertainty).
- Python/SQL; RDKit/OpenEye; PyTorch/scikit-learn; AI coding/research assistants (e.g., Claude Code).
- Strong written/verbal communication; external scientific impact (publications/patents/invited talks).
Compensation & Benefits (if eligible)
- Anticipated wage: $193,500–$308,000; may be eligible for a company bonus.
- Comprehensive benefits including 401(k), pension, vacation, medical/dental/vision/prescription, flexible benefits, life insurance, time off/leave, and well-being benefits (e.g., EAP, fitness).
Travel/Environment
- Some travel; onsite office position within Lilly Research Laboratories.
Director/Senior Director of Cheminformatics and Applied AI (scientific vision, organizational leadership, enterprise influence).
Key Responsibilities
- Serve as a recognized expert in cheminformatics and applied AI/ML delivering high-impact strategies that resolve critical project challenges.
- Develop/apply cheminformatics, statistical, and AI/ML methods to improve hit identification and hit-to-lead across DEL, HTS, VS, fragment/affinity approaches; across modalities (small molecule, macrocyclic peptide, molecular glues).
- Drive analytical/ML methodology for the DEL platform (enrichment/denoising of selection data, DEL-trained models) and extend to VS of ultra-large synthesizable chemical space.
- Identify hard scientific problems limiting progress and lead solution development.
- Stay current on external advances; evaluate, adapt, and deploy relevant innovations.
- Partner with Computational Chemistry/Cheminformatics leadership; advise senior leadership; influence portfolio decisions.
- Mentor/develop diverse talent; lead complex cross-functional initiatives; champion open, evidence-based scientific debate.
- Model safety-first practice and follow safety/environmental/regulatory compliance.
Basic Requirements
- PhD in Cheminformatics, Computational Chemistry, Chemical Engineering, or related field with 4+ years drug discovery experience (pharma/biotech); or BS/MS with 8+ years equivalent experience.
Additional Preferences / Skills
- Scientific leadership shaping capabilities/culture/strategy.
- Proven drug-hunter experience; modern data science for drug discovery (predictive modeling, generative design, representations, validation/uncertainty).
- Python/SQL; RDKit/OpenEye; PyTorch/scikit-learn; AI coding/research assistants (e.g., Claude Code).
- Strong written/verbal communication; external scientific impact (publications/patents/invited talks).
Compensation & Benefits (if eligible)
- Anticipated wage: $193,500–$308,000; may be eligible for a company bonus.
- Comprehensive benefits including 401(k), pension, vacation, medical/dental/vision/prescription, flexible benefits, life insurance, time off/leave, and well-being benefits (e.g., EAP, fitness).
Travel/Environment
- Some travel; onsite office position within Lilly Research Laboratories.