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