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RORoche

Intern: Cheminformatics - Reaction Data Standardization(m/w/x)

Basel
Full-timeInternshipOn-site
AI/ML
Data Science

Standardizing chemical reaction data and cleaning ambiguous chemical names using LLMs at a global pharmaceutical company. MSc in Chemistry (completed within 12 months) and basic Python/SQL skills required. Exposure to cutting-edge cheminformatics and AI-driven data standardization.

Requirements

  • Passion for chemistry and data science intersection
  • Pursuing or recently completed MSc in Chemistry (last 12 months)
  • Familiarity with chemical nomenclature (IUPAC, trivial, abbreviations)
  • Strong interest in cheminformatics and chemical data handling
  • Basic Python and SQL programming skills
  • Exposure to RDKit or similar cheminformatics libraries
  • Understanding of chemical identifiers (SMILES, InChI, CAS)

Tasks

  • Document common naming issues in internal data.
  • Explore LLMs for cleaning ambiguous chemical names.
  • Build a curated synonym dictionary for reagents and catalysts.
  • Test the curated synonym dictionary.
  • Map abbreviations, systematic, trivial, and salt names.
  • Engage with lab scientists to learn experimental variable representation.
  • Structure key experimental variables in the reaction database.

Education

  • Currently in higher education

Languages

  • EnglishBusiness Fluent

Tools & Technologies

  • Python
  • SQL
  • RDKit
  • SMILES
  • InChI
  • CAS
Find the original job posting in its most current version here. Nejo automatically captured this job from the website of Roche and processed the information on Nejo with the help of AI for you. Despite careful analysis, some information may be incomplete or inaccurate. Please always verify all details in the original posting! Content and copyrights of the original posting belong to the advertising company.

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