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Intern: Cheminformatics - Reaction Data Standardization(m/w/x)
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
- English – Business Fluent
Tools & Technologies
- Python
- SQL
- RDKit
- SMILES
- InChI
- CAS
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Intern: Cheminformatics - Reaction Data Standardization(m/w/x)
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
- English – Business Fluent
Tools & Technologies
- Python
- SQL
- RDKit
- SMILES
- InChI
- CAS
Like this job?
BetaYour Career Agent finds similar jobs for you every day.
About the Company
Roche
Industry
Pharmaceuticals
Description
The company is dedicated to advancing science and ensuring access to healthcare for everyone.
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