AI-Driven Small-Molecule Drug Discovery Lead

Vertex Pharmaceuticals Inc (US); United States; Hybrid; USD 168,000 - 252,000; Full time

Benefits offered by this job

Medical benefits

Dental benefits

Vision benefits

Paid time off

Educational assistance

Commuting subsidy

401(k)

Job summary

Vertex Pharmaceuticals Inc. is seeking a leader to drive scientific transformation through applied AI and agentic systems in small-molecule drug discovery.

You will collaborate with project teams to deploy AI co-scientists for SAR analysis, molecular design, and lead optimization, leveraging computational chemistry and AI methods. The role emphasizes establishing evaluation benchmarks, responsible AI governance, and measurable impact on discovery productivity, with a Boston-based hybrid work

Qualifications

• PhD in a relevant scientific discipline with leadership in computational methods.
• 8+ years applying computational chemistry/cheminformatics to drug discovery.
• Experience translating scientific opportunities into scalable computational capabilities.
• Strong understanding of AI methods and governance in research environments.

Responsibilities

• Lead AI-enabled scientific transformation across small-molecule drug discovery.
• Partner with teams to deploy AI co-scientists for SAR analysis and design.
• Define evaluation frameworks and benchmarks for AI tools.
• Drive adoption and measurable impact while ensuring responsible AI standards.
• Act as a thought leader for AI-enabled scientific innovation.

Skills

Computational chemistry

Cheminformatics

Machine learning

AI governance

Cross-functional collaboration

Education

PhD in Computational Chemistry, Chemistry, Computer Science, Data Science, Engineering or related

Job description

Vertex Pharmaceuticals Inc. is seeking a leader to drive scientific transformation through applied AI and agentic systems in small-molecule drug discovery.

You will collaborate with project teams to deploy AI co-scientists for SAR analysis, molecular design, and lead optimization, leveraging computational chemistry and AI methods. The role emphasizes establishing evaluation benchmarks, responsible AI governance, and measurable impact on discovery productivity, with a Boston-based hybrid work