Senior Cheminformatics AI Scientist for Drug Discovery

USA - 3316 Takeda Development Center Americas, Inc.; Cambridge (MA); On-site; USD 137,000 - 215,000; Full time

Job summary

Takeda invites a cheminformatics scientist to join its Cambridge team, accelerating drug design through AI, ML, and computational chemistry. You will collaborate with global teams in medicinal chemistry, DMPK, and AI/ML, defining a roadmap for tools empowering medicinal chemists.

The role requires a PhD and 2+ years in pharma/biotech, with experience in MLOps, RDKit, and scalable workflows. Based in Cambridge, MA, it offers strong compensation and benefits.

Qualifications

• PhD in Computational Chemistry, Cheminformatics, Computer Science or related disciplines.
• 2+ years of pharma/biotech experience.
• Hands-on agentic AI systems in drug discovery.
• Experience with MLOps and model lifecycle management.

Responsibilities

• Develop and apply agentic AI solutions for drug discovery.
• Build predictive models for molecule design and optimization.
• Lead and orchestrate multi-step computational workflows.
• Enable scalable search and analytics across large chemical databases.

Skills

Python

R

C/C++

RDKit

MLOps

Education

PhD in Computational Chemistry

Tools

RDKit

Job description

Takeda invites a cheminformatics scientist to join its Cambridge team, accelerating drug design through AI, ML, and computational chemistry. You will collaborate with global teams in medicinal chemistry, DMPK, and AI/ML, defining a roadmap for tools empowering medicinal chemists.

The role requires a PhD and 2+ years in pharma/biotech, with experience in MLOps, RDKit, and scalable workflows. Based in Cambridge, MA, it offers strong compensation and benefits.