Senior Director, AIRx Computational Chemistry

This role sits at the center of Takeda's AI Research Accelerator (AIRx), a specialized unit combining biotech autonomy with pharmaceutical resources. The Senior Director leads computational chemistry efforts focused on rapid drug design cycles.

Key Responsibilities

• Apply generative AI, structure-based design, and predictive ML models for molecular design
• Collaborate with medicinal chemists to translate computational outputs into synthesis priorities
• Oversee virtual screening, ADMET predictions, and selectivity assessments
• Contribute to AI/ML dataset development from experimental outputs
• Develop computational workflows for team efficiency
• Integrate structural biology data into design strategies
• Stay current with advances in generative AI and protein structure prediction

Required Qualifications

• PhD in computational chemistry, cheminformatics, biophysics, or related field
• 12-15+ years of drug discovery experience
• Strong proficiency in molecular docking, MD simulation, FEP, QSAR/ADMET modeling
• Python coding skills and experience deploying ML models in drug discovery
• Structure-based drug design experience
• Preferred: generative AI or LLM applications to molecular design

Salary: $212,000 - $333,190 USD