Cheminformatics & Python Solutions Developer

Job Description: Cheminformatics & Python Solutions Developer

• Location: Groton, Connecticut (CT)

• Duration: 6 Months

• GBaMS ReqID: 11012171

• Organization: Pfizer

• Business Area: Pharmaceutical Research & Development – Molecules & Assays Solutions

• Work Arrangement: Hybrid / Role-dependent

• Employment Level: To be finalized

Role Summary

• Develop scientific software and automate chemistry workflows to support molecular research and digital transformation initiatives.

• Combine strong Python development skills with chemistry domain expertise.

• Curate, standardize, validate, and modify chemical structures and associated molecular data.

• Support chemistry data management, scientific computing, and AI/ML research initiatives.

Required Technical Skills

• Strong experience in Python development, including applications, APIs, libraries, and automated workflows.

• Knowledge of cheminformatics and chemical structure processing.

• Experience with cheminformatics toolkits such as:

  • RDKit

  • ChemAxon

  • Equivalent cheminformatics technologies

• Understanding of chemical structures, molecular properties, stereochemistry, and compound metadata.

• Experience with data ingestion, transformation, validation, standardization, and export pipelines.

• Knowledge of API integration, scientific databases, and enterprise or cloud services.

• Experience writing modular, tested, maintainable, and production-ready code.

• Familiarity with code reviews, documentation, release management, and production support.

• Understanding of data preparation and feature-generation workflows for predictive modeling, molecular design, and AI-enabled research.

Roles and Responsibilities

1. Chemistry Data Curation and Structure Management

• Curate, validate, and maintain chemical structure data across research platforms and scientific workflows.

• Perform chemical structure standardization and normalization, including:

  • Salt and solvent handling

  • Valence checks

  • Charge normalization

  • Tautomer treatment

  • Stereochemistry review

  • Duplicate identification

• Support compound registration, structure correction, and structure modification.

• Manage molecular metadata and ensure data accuracy and consistency.

• Investigate and resolve chemistry data-quality issues in collaboration with medicinal chemists, computational scientists, and informatics teams.

• Define and implement repeatable quality-control rules for chemistry datasets used in analytics and AI/ML initiatives.

2. Python Development and Automation

• Design and develop Python-based applications, APIs, libraries, and automated workflows for chemistry and scientific data processing.

• Build scalable pipelines for chemical structure ingestion, transformation, validation, standardization, and export.

• Integrate chemistry platforms, scientific databases, and enterprise or cloud services using APIs and data-integration patterns.

• Develop modular, tested, maintainable code following software development best practices.

• Participate in code reviews, technical documentation, release management, and production support.

• Create scientist-friendly utilities, notebooks, and lightweight interfaces to reduce manual curation effort and improve traceability.

3. Cheminformatics and Scientific Computing

• Use RDKit, ChemAxon, or equivalent tools for molecular analysis and chemical structure processing.

• Develop capabilities for:

  • Substructure and similarity searches

  • Molecular scaffold analysis

  • Molecular descriptor calculation

  • Compound clustering

  • Molecular property computation

• Apply chemistry domain knowledge to ensure software outputs are scientifically accurate and meaningful.

• Support data preparation and feature-generation workflows for predictive modeling and molecular design.

• Contribute to AI-enabled research and machine learning initiatives in pharmaceutical discovery.

4. Stakeholder Collaboration and Delivery

• Collaborate with chemists, informaticians, data scientists, product owners, and software engineers.

• Translate scientific and business requirements into technical solutions.

• Participate in solution design, effort estimation, development, testing, and validation.

• Support deployment, operational activities, and ongoing software maintenance.

• Communicate technical decisions and scientific data-processing approaches effectively to technical and non-technical stakeholders.

Key Skills Summary

• Python Development

• Cheminformatics

• RDKit and ChemAxon

• Chemical Structure Curation and Standardization

• Molecular Data Management

• Compound Registration and Metadata Management

• Stereochemistry and Tautomer Handling

• Molecular Descriptors and Property Computation

• Substructure and Similarity Searching

• Scaffold Analysis and Compound Clustering

• Scientific Data Pipelines and Automation

• API Development and Integration

• Data Quality and Validation

• AI/ML Data Preparation

• Predictive Modeling and Molecular Design

• Pharmaceutical Research and Development

• Cross-functional Collaboration and Technical Documentation