Senior Research Scientist

Job Title: Research Senior Scientist, Cheminformatics

Location: Boston, Massachusetts, United States

Type: Full Time

Our Client is seeking an accomplished Research Senior Scientist, Cheminformatics to join their expanding computational sciences team. This role plays a pivotal part in advancing a “prediction‑first” mindset by integrating cheminformatics, computational chemistry, and machine learning to accelerate small‑molecule drug design. The selected candidate will collaborate closely with global teams across medicinal chemistry, DMPK, and AI/ML to shape and implement a strategic roadmap for next‑generation computational tools.

What You’ll Do

• Design, automate, and deploy cheminformatics workflows and interactive visualization dashboards to empower discovery teams.
• Identify high‑impact opportunities across the DMTA cycle where predictive modeling can accelerate decision‑making.
• Build, validate, and implement predictive models to enable efficient molecule design and optimization.
• Derive meaningful med‑chem insights from large‑scale chemical and biological datasets.
• Stay current with emerging innovations in computational chemistry, ML/AI, generative chemistry, and synthesizable chemical space exploration.
• Apply advanced methods such as AI‑driven design, generative models, DEL data analytics, and DEL/ML workflows.
• Act as a scientific thought partner, contributing to innovative chemistry strategies that drive project success.

What We’re Looking For

• PhD in Computational Chemistry, Cheminformatics, Computer Science, or related discipline, with 2\+ years of relevant experience in a pharma or biotech setting.
• Strong programming skills (Python, R, C/C\+\+) with proven experience building scalable, automated computational workflows.
• Hands‑on expertise with cheminformatics toolkits such as RDKit.
• Deep understanding of the DMTA cycle and success applying predictive tools to streamline design processes.
• Experience leading strategic computational initiatives to accelerate drug discovery.
• Background in DEL data analysis and multi‑task deep learning is a strong advantage.