Research Senior Scientist, Cheminformatics

Initial Therapeutics, Inc. · boston, suffolk county, ma, United-States

Location
boston
Job Type
Full-time
Posted
June 19, 2026

Job Description

Objective / Purpose 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. 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 c...

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