Senior ML​/AI Cheminformatics Scientist

Role Summary

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. You will develop, deploy, and continuously improve machine learning models for molecular property prediction and leverage Pfizer’s proprietary chemical and biological datasets to inform decision‑making across hit‑to‑lead and lead optimization stages.

Your work will directly enable more efficient compound prioritization, improved prediction of ADME properties, and accelerated progression of discovery programs. Success in this position will be defined by the delivery of robust, validated computational models and workflows that generate actionable insights and measurable impact on project outcomes.

• Develop and apply cheminformatics data‑mining algorithms for analysis of molecular modeling, virtual screening, and structure‑activity relationship (SAR) analysis.
• Process and analyze chemical and biological datasets to evaluate drug‑likeness, ADMET properties, dosing, and other relevant metrics.
• Utilize molecular fingerprints, descriptors, and similarity metrics for compound clustering, classification, and regression.
• Assist in development, maintenance, and monitoring of AI/ML models for property prediction.
• Optimize data pipelines for processing and storing chemical structures using cheminformatics toolkits such as RDKit and 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 a Master’s degree with 2+ years of experience in Cheminformatics, Computational Chemistry, Bioinformatics, Data Science, or a related field.
• Proficiency in Python and experience with cheminformatics libraries such as RDKit, Open Eye, Deep Chem, InChI, SMILES/SMARTS.
• Experience working in a structured collaborative data and software development environment using Git.
• Experience with SAR model‑building software such as Scikit‑Learn, PyTorch, or equivalent.
• Strong understanding of basic statistical concepts and model performance evaluation.

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

• Ability to perform mathematical calculations and complex data analysis.

This is a hybrid role requiring residence within commuting distance, with an average of 2.5 on‑site days per week. Some travel is required. Relocation support may be available based on business needs. The annual base salary ranges from $93,600.00 to $. Eligible for participation in Pfizer’s Global Performance Plan (12.5% bonus target) and a share‑based long‑term incentive program. Comprehensive benefits include a 401(k) plan with matching contributions, paid vacation, holidays, personal days, caregiver/parental and medical leave, medical, prescription drug, dental, and vision coverage.

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 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 and requires permanent US work authorization for this position. This role does not sponsor U.S. work visas (e.g., TN, O‑1, H‑1B).