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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
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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