Principal ML/AI Cheminformatics Scientist

Pfizer · Groton, CT

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ResearchFull-time$106k–$177kCompany career page

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Role summary

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.

What they're looking for

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

What you'll be doing

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

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