Senior Director, AIRx Computational Chemistry

Senior Director, AIRx Computational Chemistry Employer Takeda Location Boston, Massachusetts Start date May 13, 2026 View more categories View less categories Discipline Science/R D , Chemistry Required Education Doctorate/PHD/MD Position Type Full time Hotbed Genetown , Best Places to Work Apply now Save job Click to add the job to your shortlist You need to sign in or create an account to save a job. Send job Job Details Company Job Details 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 Takeda Research is constructing a Lab of Tomorrow built on AI, automation, new ways of working, and talent with the singular vision of delivering differentiated medicines to the clinic at speed and cost. To catalyze these efforts, Takeda is creating two complementary units: AI Research Accelerator (AIRx) and Lab Automation & Transformation (LAT). AIRxwill consist of a dedicated group of experienced drug hunters with the autonomy of a biotech and the resources of a leading pharmaceutical company. It is designed to incubate the future AI-powered operating models and deliver candidates to the clinic at industry leading speed and success rates. Purpose Reporting to theHead ofAIRx, theAIRxComputational Chemist sits at the scientific heart ofAIRx'sAI-first operating model. This role drives in silico molecular design, leverages predictive models, and applies generative chemistry to power rapid DMTA cycles — directly enabling the speed and precision that define theAIRxincubatorInAIRx, computational chemistry is a first-order decision-making function — generative proposals from thisroledirectly shape what gets synthesized, what gets deprioritized, and ultimately what reaches the clinic.

The role is deeply hands-on, with a unique opportunity to directly shape candidates that advance to the clinic through close collaboration with the widerAIRxdesign team. Accountabilities Apply generative AI, structure-based design, free energy perturbation, and predictive ML models to design and prioritize chemical matter Partner closely with Medicinal Chemists to translate computational outputs into actionable synthesis priorities; challenge and be challenged in equal measure Lead and overseevirtual screening campaigns, ADMET predictions, and selectivity assessments to inform and accelerate design decisions Contribute to building and refining AI/ML model training datasets fromAIRxexperimental outputs Develop andmaintaincomputational workflows that increase team speed and reproducibility Interpret and integrate structural biology data (X-ray, cryo-EM) into computational design strategies Communicate complex computational findings clearly to cross-disciplinary colleagues and governance forums Stay current with advances in generative AI, protein structure prediction, and ML methods; proactively applynew approaches Qualifications & Competencies PhD in computational chemistry, cheminformatics, biophysics, or closely related discipline 12-15+years of drug discovery experience withdemonstratedtrack recordof computational impact on programs Proficiencyacross computational tools: molecular docking, MD simulation, FEP, QSAR/ADMET modeling Strong coding skills (Pythonrequired); experience building and deploying ML models in a drug discovery context Experience with structure-based drug design; ability to interpret crystallography or cryo-EM data Experience applying generative AI or large language models to molecular design preferred Collaborative, communicative, and comfortable at the wet/dry scientific interface

ADDITIONAL INFORMATION

The position will be based in Cambridge, MA. This position is currently classified as "hybrid" by Takeda's Hybrid and Remote Work policy 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:

$212,000.00 - $333,190.00 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 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. Company For over 240 years, Takeda's propensity to evolve has driven the next generation of innovation. Today, our organization spans the globe—colleagues across business units and functions face challenges head-on to deliver life-transforming treatments, guided by our commitment to patients, our people and the planet. As a values-based, R D-driven biopharmaceutical leader headquartered in Japan, we focus our R D efforts on four therapeutic areas: Oncology, Rare Genetics and Hematology, Neuroscience, and Gastroenterology (GI). We also make targeted R D investments in Plasma-Derived Therapies and Vaccines. In addition to our R D efforts, we're laser-focused on harnessing the power of data, digital, and technology to improve health outcomes for patients across the globe. Since our founding in Japan, integrity and putting patients first have been at the heart of our identity. We're proud of our employees and their commitment to improving the quality of life for patients, and to working with our partners in health care in approximately 80 countries and regions. With each new breakthrough comes opportunities to develop your career, hone new skills, and create a brighter future For more information, visit https://jobs.takeda.

com/ Company info Website https:

//www.takeda.com/ Location 650 East Kendall Street Cambridge

MA 02421

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