Principal ML/AI Cheminformatics Scientist

Principal ML/AI Cheminformatics Data Scientist role within Pfizer's Pharmacokinetics, Dynamics, and Metabolism organization. Develop and deploy machine learning models for molecular property prediction and ADME assessment to accelerate small-molecule drug discovery and inform compound prioritization decisions.

Responsibilities

• Develop and deploy robust, validated machine learning workflows and algorithms supporting drug discovery programs and ADME property prediction
• Design cheminformatics pipelines generating prioritized compound lists, chemical libraries, and structure-activity relationship analyses
• Collaborate with medicinal chemists, biologists, and data scientists to integrate computational approaches into experimental workflows
• Evaluate emerging AI and cheminformatics methodologies, pilot novel techniques, and lead adoption of promising approaches
• Develop novel algorithms tailored to proprietary datasets with deliverables including validated models, software tools, and publications or patents

Requirements

• Applied AI methods to medicinal chemistry challenges including molecular representations, fingerprints, generative models, transformers, and ADMET modeling
• Strong Python proficiency with hands-on experience using RDKit, OpenEye, DeepChem, InChI, SMILES/SMARTS
• Track record of creatively applying computational techniques to pharmaceutical research problems
• Effective communication and collaboration skills across diverse cross-functional teams
• Ability to deliver results in fast-paced environment while managing multiple priorities

Compensation: $106,000-$176,600 base annual salary, plus 15% bonus target and long-term share incentives