Senior Principal AI/ML Cheminformatics Scientist

Pfizer

. Drive scientific and technical advancement in PDM’s AI and cheminformatics capabilities by developing and delivering robust, validated workflows and algorithms that directly support drug discovery.

Posted 4/10/2026full-timeGroton • Connecticut, Massachusetts • 🇺🇸 United StatesSenior💰 $124,400 - $207,400 per yearWebsite

Tech Stack

Tools & technologies

Python

About the role

Key responsibilities & impact

Drive scientific and technical advancement in PDM’s AI and cheminformatics capabilities by developing and delivering robust, validated workflows and algorithms that directly support drug discovery.
Design, build, and deploy innovative cheminformatics and AI workflows for small molecule discovery, with clear deliverables including prioritized compound lists, well-defined chemical libraries, and actionable structure-activity relationship analyses.
Collaborate closely with medicinal chemists, biologists, and data scientists to integrate computational approaches into experimental and analytical workflows.
Continuously monitor and evaluate emerging advances in AI, cheminformatics, and computational drug discovery, proactively leading the adoption of promising new methodologies.
Develop novel algorithms and analytical strategies tailored to Pfizer’s proprietary datasets and key scientific questions, with measurable outcomes such as validated models, software tools, and contributions to scientific literature or patent filings.

Requirements

What you’ll need

A Ph.D. or Master’s degree in Cheminformatics, Computational Chemistry, Bioinformatics, Data Science, or a closely related field is required.
8+ years of experience working in drug discovery within the pharmaceutical or biotechnology industry.
Demonstrated expertise in applying AI methods to medicinal chemistry or cheminformatics challenges, including work with molecular representations, chemical fingerprints, QSAR, generative models, transformer architectures, pretraining strategies, property prediction, virtual screening, and ADMET modeling.
Strong proficiency in Python, with hands-on experience using cheminformatics libraries and tools such as RDKit, OpenEye, DeepChem, InChI, and SMILES/SMARTS.
Proven track record of creatively applying computational techniques to address problems relevant to pharmaceutical research and development.
Ability to communicate effectively, collaborate with diverse teams, and deliver results in a fast-paced environment while managing multiple priorities.
Experience working within a structured, collaborative data and software development environment, such as using version control systems like Git.
Candidate demonstrates a breadth of diverse leadership experiences and capabilities including: the ability to influence and collaborate with peers, develop and coach others, oversee and guide the work of other colleagues to achieve meaningful outcomes and create business impact.

Benefits

Comp & perks

Health benefits to include medical, prescription drug, dental and vision coverage.
401(k) plan with Pfizer Matching Contributions.
An additional Pfizer Retirement Savings Contribution.
Paid vacation, holiday and personal days.
Paid caregiver/parental and medical leave.
Comprehensive and generous benefits and programs to help our colleagues lead healthy lives and to support each of life’s moments.

ATS Keywords

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Applicant Tracking System Keywords

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Hard Skills & Tools

cheminformaticsAI methodsmolecular representationschemical fingerprintsQSARgenerative modelstransformer architecturesproperty predictionvirtual screeningADMET modeling

Soft Skills

effective communicationcollaborationresults deliverymulti-priority managementleadershipinfluencecoachingguidance

Certifications

Ph.D.Master’s degree