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1201 F. Hoffmann-La Roche AG
last mo.

Senior / Principal Cheminformatics Scientist(m/w/x)

Basel
Full-timeOn-siteSenior
AI/ML

Description

In this role, you will be at the forefront of drug discovery, designing innovative cheminformatics solutions and collaborating with scientists to enhance computational capabilities. Your contributions will shape the future of AI in medicinal chemistry and influence research across Roche.

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Requirements

  • PhD in a physical or quantitative discipline or BS/MS with 7+ years of relevant industry research experience
  • Expert-level proficiency in cheminformatics and modeling toolkits (e.g., RDKit, OpenEye), Python, and modern ML frameworks (e.g., PyTorch, scikit-learn)
  • Exceptional record of scientific impact and independent innovation
  • Proven ability to lead technical teams and mentor scientists
  • Strong partnerships with scientific collaborators and effective solution delivery

Education

Doctoral / PhD
OR
Master's degree

Work Experience

3 - 6 years

Tasks

  • Contribute to scientific software development
  • Shape the cheminformatics landscape and computational infrastructure
  • Design computational analyses independently
  • Own and evolve scientific applications for molecular design
  • Champion new cheminformatics and AI technologies
  • Identify and deliver advanced cheminformatics technologies and algorithms
  • Guide best practices for scientific applications and AI models
  • Propose and implement integrated scientific software solutions
  • Educate and partner with machine learning scientists and medicinal chemists
  • Mentor and conduct training sessions for scientific teams
  • Contribute to publications, internal reports, and patents
  • Present at national and international scientific forums

Tools & Technologies

RDKitOpenEyePythonPyTorchscikit-learn

Languages

EnglishBusiness Fluent

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