cADME Senior Scientist

Pfizer; Groton (CT); On-site; USD 80,000 - 120,000; Full time

Job summary

An established industry player is seeking a Cheminformatics Data Scientist to join their innovative team. In this role, you will leverage advanced data-driven methodologies to address complex challenges in drug discovery. You will develop and apply cheminformatics algorithms, optimize data pipelines, and collaborate with cross-functional teams to enhance the value of extensive chemical and biological datasets. This is a unique opportunity to contribute to groundbreaking research that can transform patient care and improve health outcomes globally. If you are passionate about using your expertise to make a real impact, this position is perfect for you.

Benefits

Relocation support

Flexible work hours

Health insurance

Professional development opportunities

Collaborative work environment

Qualifications

• Ph.D. or Master's in Cheminformatics/Data Science with relevant experience.
• Proficiency in Python and cheminformatics libraries is essential.

Responsibilities

• Develop cheminformatics algorithms for molecular modeling and SAR analysis.
• Collaborate with teams to integrate computational approaches into workflows.

Skills

Python

Cheminformatics

Machine Learning

Data Analysis

Statistical Concepts

Education

Ph.D. in Cheminformatics or related field

Master's degree in Cheminformatics or related field

Tools

RDKit

OpenEye

SciKit-Learn

Torch

SQL

NoSQL

MLFlow

Airflow

Job description

Pfizer’s purpose is to deliver breakthroughs that change patients’ lives. Research and Development is at the heart of fulfilling Pfizer’s purpose as we work to translate advanced science and technologies into the therapies and vaccines that matter most. Whether you are in the discovery sciences, ensuring drug safety and efficacy or supporting clinical trials, you will apply cutting edge design and process development capabilities to accelerate and bring the best in class medicines to patients around the world.

Computational ADME

Cheminformatics Data Scientist

As the world’s leading pharmaceutical company, Pfizer holds a unique position with some of the largest and most complex chemical and biological data sets globally. The computational absorption, distribution, metabolism, and excretion (cADME) group at Pfizer is responsible for maximizing the value of ADME, Safety, and Pharmacology data generated to support drug discovery project teams. As a Cheminformatics Data Scientist, you will leverage data-driven approaches to tackle drug discovery chemical and biological challenges. You will apply and develop machine learning models for molecular property prediction, analyze and optimize hit-to-lead and lead optimization strategies from our proprietary knowledge base, and collaborate closely with both internal and external partners to maximize the value of our industry-leading datasets.

Responsibilities:

• Develop and apply cheminformatics data-mining algorithms for the analysis of molecular modeling, virtual screening, and structure-activity relationship (SAR) analysis.
• Process and analyze chemical and biological datasets to evaluate properties such as drug-likeness, ADMET properties, dosing, etc.
• Utilize molecular fingerprints, descriptors, and similarity metrics for compound clustering, classification, and regression.
• Assist in development, maintenance, and monitoring of AI/ML models used for property prediction.
• Optimize data pipelines for processing and storing chemical structures using cheminformatics toolkits (RDKit, OpenEye, etc.).
• 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.

Required Qualifications:

• Ph.D. with 0 years of experience or Master's degree with 2+ years of experience in Cheminformatics, Computational Chemistry, Bioinformatics, Data Science, or a related field.
• Proficiency in Python, with experience in cheminformatics libraries and topics (RDKit, OpenEye, DeepChem, InChI, SMILES/SMARTS).
• Experience working in a structured collaborative data and software development environment (git).
• Experience using SAR model-building software such as SciKit-Learn, Torch, etc.
• Strong understanding of basic statistical concepts and how to evaluate and track model performance.

Preferred Qualifications:

• Experience using DAGs to define data pipelines, e.g. Luigi, Airflow, Dagster, Prefect, Kubeflow.
• Experience working with relational (SQL) and NoSQL databases for chemical data management.
• Experience working with MLOps tools such as MLFlow, Neptune, or SageMaker.

PHYSICAL/MENTAL REQUIREMENTS

Ability to perform mathematical calculations and ability to perform complex data analysis.

NON-STANDARD WORK SCHEDULE, TRAVEL OR ENVIRONMENT REQUIREMENTS

Some travel required. Relocation support available.

ROLE SUMMARY

Pfizer’s purpose is to deliver breakthroughs that change patients’ lives. Research and Development is at the heart of fulfilling Pfizer’s purpose as we work to translate advanced science and technologies into the therapies and vaccines that matter most. Whether you are in the discovery sciences, ensuring drug safety and efficacy or supporting clinical trials, you will apply cutting edge design and process development capabilities to accelerate and bring the best in class medicines to patients around the world.

Computational ADME

Cheminformatics Data Scientist

As the world’s leading pharmaceutical company, Pfizer holds a unique position with some of the largest and most complex chemical and biological data sets globally. The computational absorption, distribution, metabolism, and excretion (cADME) group at Pfizer is responsible for maximizing the value of ADME, Safety, and Pharmacology data generated to support drug discovery project teams. As a Cheminformatics Data Scientist, you will leverage data-driven approaches to tackle drug discovery chemical and biological challenges. You will apply and develop machine learning models for molecular property prediction, analyze and optimize hit-to-lead and lead optimization strategies from our proprietary knowledge base, and collaborate closely with both internal and external partners to maximize the value of our industry-leading datasets.

About Us

Pfizer careers are like no other. In our culture of individual ownership, we believe in our ability to improve future healthcare, and potential to transform millions of lives. We’re looking for new talent to join our global community, to unearth new innovative therapies that make the world a healthier place.