Sr. Scientist, Cheminformatics

Company: Takeda
Location: Boston
Posted on: January 13, 2026

Job Description:

By clicking the “Apply” button, I understand that my employment application process with Takeda will commence and that the information I provide in my application will be processed in line with Takeda’s Privacy Notice and Terms of Use . I further attest that all information I submit in my employment application is true to the best of my knowledge. Job Description Research Sr. Scientist, Cheminformatics Job Description At Takeda, we are a forward-looking, world-class R&D organization that unlocks innovation and delivers transformative therapies to patients. By focusing R&D efforts on three therapeutic areas and other targeted investments, we push the boundaries of what is possible to bring life-changing therapies to patients worldwide. Objective / Purpose: We are seeking a highly skilled and visionary Scientist to establish Takeda’s cheminformatics platform in the era of AI/ML-driven drug discovery. 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. Accountabilities: 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. Mentor junior scientists and ML engineers for their career success. Strategize and plan for building an industry-leading cheminformatics group at Takeda. Serve as a trusted thought partner, helping to drive ideation and execution of innovative chemistry strategies that meet Takeda’s therapeutic goals Education & Competencies (Technical and Behavioral): The ideal candidate will have demonstrated experience impacting drug discovery exemplified by delivering end-to-end cheminformatics solutions, AI/ML-driven approaches, and generative chemistry. PhD degree in a scientific discipline (or equivalent) with 2 years relevant experience, or MS with 8 years relevant experience, or BS with 10 years relevant experience Strong expertise in cheminformatics toolkits such as RDKit and proficiency in programming languages (Python, R) and dashboard technologies. Solid programming and scripting capabilities (e.g., Python, R, C/C++) with a proven ability to design and automate scalable computational workflows. Comprehensive knowledge of the DMTA cycle with demonstrated success in deploying predictive tools across the design process. Experience with DEL data analysis and Multi-task DL method is a strong plus. Experience managing contractors or direct reports. Experience leading strategic initiatives to accelerate DMTA cycle. Takeda Compensation and Benefits Summary We understand compensation is an important factor as you consider the next step in your career. We are committed to equitable pay for all employees, and we strive to be more transparent with our pay practices. For Location: Boston, MA U.S. Base Salary Range: $137,000.00 - $215,270.00 The estimated salary range reflects an anticipated range for this position. The actual base salary offered may depend on a variety of factors, including the qualifications of the individual applicant for the position, years of relevant experience, specific and unique skills, level of education attained, certifications or other professional licenses held, and the location in which the applicant lives and/or from which they will be performing the job. The actual base salary offered will be in accordance with state or local minimum wage requirements for the job location. U.S. based employees may be eligible for short-term and/ or long-term incentives. U.S. based employees may be eligible to participate in 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, and well-being benefits, among others. U.S. based employees are also eligible to receive, per calendar year, up to 80 hours of sick time, and new hires are eligible to accrue up to 120 hours of paid vacation. EEO Statement Takeda is proud in its commitment to creating a diverse workforce and providing equal employment opportunities to all employees and applicants for employment without regard to race, color, religion, sex, sexual orientation, gender identity, gender expression, parental status, national origin, age, disability, citizenship status, genetic information or characteristics, marital status, status as a Vietnam era veteran, special disabled veteran, or other protected veteran in accordance with applicable federal, state and local laws, and any other characteristic protected by law. Locations Boston, MA Worker Type Employee Worker Sub-Type Regular Time Type Full time Job Exempt Yes It is unlawful in Massachusetts to require or administer a lie detector test as a condition of employment or continued employment. An employer who violates this law shall be subject to criminal penalties and civil liability.

Keywords: Takeda, Nantucket , Sr. Scientist, Cheminformatics, Science, Research & Development , Boston, Massachusetts