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Roche Applied AI Scientist

Job in Mississauga, Ontario, Canada
Listing for: Roche Holding AG
Full Time position
Listed on 2026-09-23
Job specializations:
  • IT/Tech
    AI Engineer (Applied/Software), Data Scientist, AI Business & Operations, Machine Learning/ ML Engineer
  • Research/Development
    Data Scientist, AI Business & Operations
Job Description & How to Apply Below
Position: Roche Applied AI Scientist Role
Drive innovation in molecular chemistry with Roche as an Applied AI Scientist. Utilize cutting-edge AI and data technologies to enhance healthcare research and development.

We are looking for an AI/ML Scientist with a robust background in computational chemistry and a passion for molecular models. With over 3 years of experience, you will develop scalable in-silico models that impact drug design and R&D processes. This role seeks motivated candidates ready to convert research insights into practical applications.

Key Responsibilities:

• Design AI pipelines to generate novel small-molecule candidates

• Train advanced models for Computer-Aided Synthesis Planning

• Create predictive models from 2D structures to assist chemists

• Integrate public datasets with Roche’s proprietary data

• Collaborate with internal teams to support AI frameworks

Requirements:

• PhD or equivalent experience in a related field

• Minimum 3 years in AI applied to cheminformatics

• Proficient in Python and C/C++ coding

• Experience with generative AI models

• Expertise in Property-Guided Molecule Generation

Utilize your deep AI knowledge to contribute to Roche’s mission of advancing healthcare.
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