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Forward-Deployed Cheminformatician

Full-time · remote · Posted 20 Jun 2026

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What you will do

About this role

# Forward-Deployed Cheminformatician

Work at the intersection of cheminformatics, drug discovery, data engineering, and applied AI. This role focuses on transforming complex and heterogeneous pharmaceutical data into scalable, high-quality datasets that support next-generation scientific models and research applications.

## Responsibilities

  • Define, develop and maintain standardized binding data preparation protocols, including data schemas, assay metadata structures, value normalization, duplicate handling and quality control procedures
  • Build and improve modular tools, validation frameworks and reusable pipelines that support diverse pharmaceutical data sources and ensure consistency across projects
  • Work directly with pharmaceutical researchers, medicinal chemists and biologists to interpret complex assay data, validate data quality and facilitate successful data onboarding
  • Maintain and optimize small molecule processing workflows, including molecular standardization, stereochemistry preservation, tautomer handling, ionization management and filtering methodologies
  • Curate and harmonize large-scale public binding data sources to support model development, benchmarking and scientific research
  • Work closely with engineering and machine learning teams to ensure data pipelines remain scalable, maintainable and aligned with evolving product and research requirements
  • Promote documentation, process standardization and knowledge sharing to convert manual data preparation efforts into repeatable and reliable workflows

Skills & experience

SeniorPythonRDKitCheminformaticaDrug discoveryData curationMolecular standardizationSMILES normalizationVersion controlData validationBinding assay dataKDKiIC50pIC50
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