Head of Drug Discovery & AI-Driven Molecule Design

Relay-Therapeutics; Cambridge (MA); On-site; USD 230,000 - 328,000; Full time

Job summary

Relay Therapeutics seeks an exceptional scientific leader to oversee Medicinal Chemistry, Computational Chemistry, Cheminformatics, and DMPK, driving transformative small molecule discovery.

The role builds a data-driven, collaborative discovery engine that tests hypotheses with experimental data and advanced computation, guiding programs from hit identification through IND with rapid, evidence-based decisions.

Qualifications

• Ph.D. in Organic Chemistry or Computational Chemistry.
• 15+ years of leadership responsibility in biotech/pharma drug discovery.
• Proven track record leading multidisciplinary discovery organizations.
• Advancing multiple small molecule programs from target ID to development candidate.
• Deep understanding of medicinal chemistry, molecular design, ADME/DMPK.

Responsibilities

• Lead and integrate Medicinal Chemistry, Computational Chemistry, Cheminformatics, and DMPK to build a collaborative discovery engine.
• Define and execute strategies enabling rapid progression from target validation to development candidate nomination.
• Champion hypothesis-driven discovery with predictive computational methods and medicinal chemistry.
• Ensure molecular design decisions account for potency, ADME, safety, developability, and translational considerations.
• Drive adoption of AI/ML, structure-based design, simulations, and high-throughput experimentation.

Skills

Leadership

Strategic planning

Data-driven decision making

Cross-functional collaboration

AI/ML-enabled design

Education

Ph.D. in Organic Chemistry or Computational Chemistry

Tools

Molecular modeling

Cheminformatics

Structure-based drug design

Job description

Relay Therapeutics seeks an exceptional scientific leader to oversee Medicinal Chemistry, Computational Chemistry, Cheminformatics, and DMPK, driving transformative small molecule discovery.

The role builds a data-driven, collaborative discovery engine that tests hypotheses with experimental data and advanced computation, guiding programs from hit identification through IND with rapid, evidence-based decisions.