Research Senior Scientist, Cheminformatics
Takeda•Boston, MA
•$137,000 - $215,270•Onsite
About The Position
We are seeking a skilled cheminformatic scientist to join Takeda’s cheminformatics team. This role will be key to fostering a “prediction-first” culture, integrating cheminformatics, computational chemistry, and machine learning to accelerate drug design. The candidate will collaborate closely with global teams in medicinal chemistry, DMPK, and AI/ML, defining a roadmap for computational tools that empower medicinal chemists to drive innovation.
Requirements
- PhD in Computational Chemistry, Cheminformatics, Computer Science or related disciplines, with 2+ years of experience in pharmaceutical or biotech setting.
- Solid programming and scripting capabilities (e.g., Python, R, C/C++) with a proven ability to design and automate scalable computational workflows.
- Strong expertise in cheminformatics toolkits such as RDKit
- Comprehensive knowledge of the DMTA cycle with demonstrated success in deploying predictive tools across the design process.
- Experience leading strategic initiatives to accelerate DMTA cycle.
Nice To Haves
- Experience with DEL data analysis and Multi-task DL method is a strong plus.
Responsibilities
- Design, automate and deploy cheminformatics workflows and visualization dashboards to support drug discovery projects.
- Identify opportunities throughout the DMTA cycle where predictive tools can drive acceleration.
- Build predictive models for molecule design and optimization.
- Extract medchem design knowledge from large-scale chemical and biological datasets.
- Stay updated with emerging trends in computational chemistry and machine learning as applied to drug discovery.
- Implement and execute innovative computational methodologies and tools such as AI-based drug discovery, generative chemistry, synthesizable chemical space exploration, DNA Encoded Library (DEL) data analysis and DEL/ML application.
- Serve as a trusted thought partner, helping to drive ideation and execution of innovative chemistry strategies that meet Takeda’s therapeutic goals.
Benefits
- medical, dental, vision insurance
- a 401(k) plan and company match
- short-term and long-term disability coverage
- basic life insurance
- a tuition reimbursement program
- paid volunteer time off
- company holidays
- well-being benefits
- up to 80 hours of sick time per calendar year
- up to 120 hours of paid vacation for new hires
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What This Job Offers
Job Type
Full-time
Career Level
Senior
Education Level
Ph.D. or professional degree
