Senior Principal AI/ML Cheminformatics Scientist

· Remote

Location

Remote

Type

Full Time

Job Description

Senior Principal AI/ML Cheminformatics Scientist

Posted Yesterday
Be an Early Applicant
2 Locations
Hybrid
124K-207K Annually
Senior level
Artificial Intelligence • Healthtech • Machine Learning • Natural Language Processing • Biotech • Pharmaceutical
We’re in relentless pursuit of breakthroughs that change patients’ lives.
The Role
The role involves applying AI/ML methods in cheminformatics for drug discovery developing models and collaborating with teams to enhance workflows and project outcomes.
Summary Generated by Built In
As the world's leading pharmaceutical company Pfizer is in the unique position of having some of the largest and most complex chemical and biological data sets available anywhere. 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 an AI Cheminformatics Scientist you will apply data-driven approaches to drug discovery-focused chemical and biological problems apply and develop AI/ML models for molecular property prediction and analyze and optimize hit to lead and lead optimization strategies from our proprietary knowledge base. You will work closely with both the internal product team and external partners to maximize the value of our data.
Role Responsibilities
  • 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. Success will be measured by the implementation of effective AI-driven solutions demonstrated impact on project outcomes and the publication or presentation of results.
  • 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. Success in this area will be reflected by joint project milestones achieved co-authored publications and the creation of interdisciplinary solutions that accelerate drug discovery.
  • Continuously monitor and evaluate emerging advances in AI cheminformatics and computational drug discovery proactively leading the adoption of promising new methodologies. Contributions will include piloting novel techniques leading internal workshops or training sessions and helping set strategic directions for technology adoption.
  • Collaborate with cross-functional teams-including medicinal chemists biologists and data scientists-to integrate computational solutions into drug discovery workflows.
  • 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.

BASIC QUALIFICATIONS
  • 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.
Additional Information
Relocation support available
Work Location Assignment: Hybrid
The annual base salary for this position ranges from $124400.00 to $207400.00. In addition this position is eligible for participation in Pfizer's Global Performance Plan with a bonus target of 17.5% of the base salary and eligibility to participate in our share based long term incentive program. We offer comprehensive and generous benefits and programs to help our colleagues lead healthy lives and to support each of life's moments. Benefits offered include a 401(k) plan with Pfizer Matching Contributions and an additional Pfizer Retirement Savings Contribution paid vacation holiday and personal days paid caregiver/parental and medical leave and health benefits to include medical prescription drug dental and vision coverage. Learn more at Pfizer Candidate Site - U.S. Benefits | (uscandidates.mypfizerbenefits.com). Pfizer compensation structures and benefit packages are aligned based on the location of hire. The United States salary range provided does not apply to Tampa FL or any location outside of the United States.
Relocation assistance may be available based on business needs and/or eligibility.
Candidates must be authorized to be employed in the U.S. by any employer.
U.S. work visa sponsorship (such as TN O-1 H-1B etc.) is not available for this role now or in the future.
Sunshine Act
Pfizer reports payments and other transfers of value to health care providers as required by federal and state transparency laws and implementing regulations. These laws and regulations require Pfizer to provide government agencies with information such as a health care provider's name address and the type of payments or other value received generally for public disclosure. Subject to further legal review and statutory or regulatory clarification which Pfizer intends to pursue reimbursement of recruiting expenses for licensed physicians may constitute a reportable transfer of value under the federal transparency law commonly known as the Sunshine Act. Therefore if you are a licensed physician who incurs recruiting expenses as a result of interviewing with Pfizer that we pay or reimburse your name address and the amount of payments made currently will be reported to the government. If you have questions regarding this matter please do not hesitate to contact your Talent Acquisition representative.
EEO & Employment Eligibility
Pfizer is committed to equal opportunity in the terms and conditions of employment for all employees and job applicants without regard to race color religion sex sexual orientation age gender identity or gender expression national origin disability or veteran status. Pfizer also complies with all applicable national state and local laws governing nondiscrimination in employment as well as work authorization and employment eligibility verification requirements of the Immigration and Nationality Act and IRCA. Pfizer is an E-Verify employer. This position requires permanent work authorization in the United States.
Pfizer endeavors to make www.pfizer.com/careers accessible to all users. If you would like to contact us regarding the accessibility of our website or need assistance completing the application process and/or interviewing please email [email protected] . This is to be used solely for accommodation requests with respect to the accessibility of our website online application process and/or interviewing. Requests for any other reason will not be returned.
Research and Development

Top Skills

Deepchem
Inchi
Openeye
Python
Rdkit
Smiles/Smarts

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The Company
HQ: New York NY
121990 Employees
Year Founded: 1848

What We Do

Our purpose ensures that patients remain at the center of all we do. We live our purpose by sourcing the best science in the world; partnering with others in the healthcare system to improve access to our medicines; using digital technologies to enhance our drug discovery and development as well as patient outcomes; and leading the conversation to advocate for pro-innovation/pro-patient policies.

Why Work With Us

We are the inventors the problem solvers the big thinkers — those who surmount any hurdle to deliver breakthrough medicines to the people who are counting on them the most.

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Date Posted

04/11/2026

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