Head of Cheminformatics & Applied AI for Drug Discovery

ITSMF; Boston (MA); On-site; USD 194,000 - 308,000; Full time

Benefits offered by this job

401(k) plan

Medical benefits

Paid time off

Job summary

Lilly is seeking a senior scientist to lead cheminformatics and applied AI/ML initiatives within its Early Molecule Discovery (EMD) team. You will drive methodological development, evaluate new technologies, and collaborate with medicinal chemists and biologists to enable hit-to-lead progress.

The role requires strong leadership, a track record in predictive modeling, and the ability to translate data into actionable discovery decisions at Lilly Research Laboratories.

Qualifications

• PhD or BS/MS with 8+ years of equivalent experience in drug discovery or related field.

Responsibilities

• Provide scientific leadership in cheminformatics and applied AI/ML to advance discovery programs.
• Develop and apply cheminformatics and AI/ML methods across screening technologies.
• Partner with cross-functional teams to define strategy and drive portfolio-level scientific decisions.
• Mentor scientists and foster a culture of rigorous and innovative science.

Skills

Python

SQL

Cheminformatics

Applied AI/ML

PyTorch

OpenEye

RDKit

Data analysis

Education

PhD in Cheminformatics, Computational Chemistry, Chemical Engineering or related field

Tools

RDKit

OpenEye

PyTorch

scikit-learn

Job description

Lilly is seeking a senior scientist to lead cheminformatics and applied AI/ML initiatives within its Early Molecule Discovery (EMD) team. You will drive methodological development, evaluate new technologies, and collaborate with medicinal chemists and biologists to enable hit-to-lead progress.

The role requires strong leadership, a track record in predictive modeling, and the ability to translate data into actionable discovery decisions at Lilly Research Laboratories.