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Senior Director, AIRx Computational Chemistry (BOSTON)

Date Posted: Jun 28, 2026
Yearly: USD 212000.00 - USD 333190.00
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Job Detail

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    Location Cambridge, Massachusetts, United States of America
  • desktop_windows
    Job Type: Permanent
  • schedule
    Shift:
  • analytics
    Career Level:
  • group
    Positions:
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    Experience:
  • male
    Gender: No Preference
  • school
    Degree:
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    Apply Before: Sep 26, 2026
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Job Description

Overview

The Senior Director of AIRx Computational Chemistry at Takeda Pharmaceutical plays a pivotal role in advancing drug discovery through AI-powered approaches. This position leads the scientific efforts within the AIRx initiative, focusing on in silico molecular design and the utilization of predictive models to accelerate the development of drug candidates.

Key responsibilities

  • Drive in silico molecular design and generative proposals
  • Partner with Medicinal Chemists to translate computational outputs into actionable synthesis priorities
  • Lead virtual screening campaigns, ADMET predictions, and selectivity assessments
  • Build and refine AI/ML model training datasets from AIRx experimental outputs
  • Develop and maintain computational workflows to enhance team efficiency
  • Interpret and integrate structural biology data into computational strategies
  • Communicate complex findings to interdisciplinary teams

Required skills

  • PhD in computational chemistry, cheminformatics, biophysics, or related discipline
  • 12-15+ years of drug discovery experience
  • Proficiency in molecular docking, MD simulation, FEP, and QSAR/ADMET modeling
  • Strong coding skills in Python
  • Experience with structure-based drug design
  • Familiarity with generative AI and large language models
  • Collaborative and communicative skills

What the company offers

  • Base salary range of $212,000.00 - $333,190.00
  • Eligibility for short-term and/or long-term incentives
  • Medical, dental, and vision insurance
  • 401(k) plan with company match
  • Tuition reimbursement program
  • Paid volunteer time off and holidays
  • Up to 120 hours of paid vacation and 80 hours of sick time annually
  • Hybrid work arrangement

Skills Required

Company Overview

Takeda Pharmaceutical
Cambridge, Massachusetts, United States of America
24 Current Jobs Openings

Takeda Pharmaceutical is a global biopharmaceutical company committed to bringing better health and a brighter future to people worldwide. We focus on developing innovative medicines based on profound science and patients' needs, actively engaging in... Read More

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