Senior ML/AI Cheminformatics Scientist

Pfizer Inc; Connecticut; Hybrid; USD 94,000 - 156,000; Full time

Benefits offered by this job

401(k) with Pfizer Matching

Health benefits

Paid vacation and holidays

Parental and medical leave

Job summary

Pfizer is seeking a Senior Cheminformatics Data Scientist in Connecticut to develop and deploy ML models for molecular property prediction. You will leverage Pfizer datasets to inform hit-to-lead and lead optimization, enabling faster and more accurate decision making.

You will collaborate across cross-functional teams to integrate AI-driven approaches, maintain reproducible workflows, and contribute to Pfizer’s data-driven discovery programs in a hybrid on-site environment.

Qualifications

• PhD or Master’s with relevant experience in cheminformatics, computational chemistry, bioinformatics or data science.
• Proficiency in Python and cheminformatics libraries (RDKit/OpenEye/DeepChem).
• Experience with git and SAR model-building tools (SciKit-Learn, Torch).
• Strong statistics knowledge and model evaluation skills.

Responsibilities

• Develop cheminformatics data-mining for molecular modeling, virtual screening, and SAR analysis.
• Use fingerprints, descriptors, and similarity metrics for clustering, classification, and regression.
• Build, deploy, and monitor AI/ML models for property prediction and ADMET.
• Collaborate with cross-functional teams to integrate computational approaches into workflows.
• Maintain data integrity, reproducibility, and documentation of QSAR models.

Skills

Python

Git

SciKit-Learn

Torch

RDKit

OpenEye

DeepChem

InChI

SMILES/SMARTS

Statistics

Education

PhD in a relevant field

Master’s degree with 2+ years experience in Cheminformatics/Computational Chemistry/Data Science

Tools

Dag pipelines (Luigi/Airflow/Dagster/Prefect/Kubeflow)

SQL/NoSQL databases

MLFlow

Neptune

SageMaker

Job description

Pfizer is seeking a Senior Cheminformatics Data Scientist in Connecticut to develop and deploy ML models for molecular property prediction. You will leverage Pfizer datasets to inform hit-to-lead and lead optimization, enabling faster and more accurate decision making.

You will collaborate across cross-functional teams to integrate AI-driven approaches, maintain reproducible workflows, and contribute to Pfizer’s data-driven discovery programs in a hybrid on-site environment.