Senior ML​/AI Cheminformatics Scientist

As a Senior Cheminformatics Data Scientist within the Computational Absorption, Distribution, Metabolism, and Excretion (cADME) group in Pfizer’s Pharmacokinetics, Dynamics, and Metabolism (PDM) organization, you will apply data‑driven approaches to address critical challenges in small‑molecule drug discovery.

• Develop and apply cheminformatics data‑mining algorithms for the analysis of molecular modeling, virtual screening, and structure‑activity relationship (SAR) analysis; process and analyze chemical and biological datasets to evaluate properties such as drug‑likeness, ADMET properties, dosing, etc.
• Utilize molecular fingerprints, descriptors, and similarity metrics for compound clustering, classification, and regression.
• Assist in the development, maintenance, and monitoring of AI/ML models used for property prediction; optimize data pipelines for processing and storing chemical structures using cheminformatics toolkits (e.g., RDKit, Open Eye).
• Collaborate with cross‑functional teams to integrate computational approaches into curation and analysis workflows.
• Maintain best practices in data integrity, reproducibility, and documentation of QSAR AI/ML models.

• PhD in a relevant field OR
• Relevant Master’s degree with 2+ years of experience in Cheminformatics, Computational Chemistry, Bioinformatics, Data Science, or a related field.
• Proficiency in Python, with experience using cheminformatics libraries and topics (RDKit, Open Eye, Deep Chem, InChI, SMILES/SMARTS).
• Experience working in a structured, collaborative data and software development environment (git) and using SAR model‑building software such as Sci Kit‑Learn, Torch, etc.
• Strong understanding of basic statistical concepts and how to evaluate and track model performance.

• Experience using DAGs to define data pipelines, e.g., Luigi, Airflow, Dagster, Prefect, Kubeflow.
• Experience working with relational (SQL) and No
  
  SQL databases for chemical data management.
• Experience working with MLOps tools such as MLFlow, Neptune, or Sage Maker.

Ability to perform mathematical calculations and complex data analysis.

Some travel required. Relocation support may be available based on business needs and/or eligibility.

This is a hybrid role requiring you to live within commuting distance and work on site an average of 2.5 days per week.

The annual base salary for this position ranges from $93,600.00 to $. In addition, this position is eligible for participation in Pfizer’s Global Performance Plan with a bonus target of 12.5% of the base salary and eligibility to participate in our share‑based long‑term incentive program. We offer comprehensive and generous benefits and programs to help our colleagues lead healthy lives and to support each of life’s moments.

Benefits include a 401(k) plan with Pfizer Matching Contributions and an additional Pfizer Retirement Savings Contribution, paid vacation, holiday and personal days, paid caregiver/parental and medical leave, and health benefits to include medical, prescription drug, dental and vision coverage.

Candidates must be authorized to be employed in the United States by any employer. U.S. work visa sponsorship (such as TN, O‑1, H‑1B, etc.) is not available for this role now or in the future.

Pfizer is committed to equal opportunity in the terms and conditions of employment for all employees and job applicants without regard to race, color, religion, sex, sexual orientation, age, gender identity or gender expression, national origin, disability or veteran status. Pfizer also complies with all applicable national, state and local laws governing nondiscrimination in employment as well as work authorization and employment eligibility verification requirements of the Immigration and Nationality Act and IRCA.

Pfizer is an E‑Verify employer. This position requires permanent work authorization in the United States.