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About the Role

The Computational Toxicology Group within Nonclinical Drug Safety (NDS) seeks a senior AI/ML scientist to drive the development and deployment of next-generation computational toxicology capabilities. This role will combine advanced machine learning, foundation model engineering, and domain expertise to accelerate safer drug discovery and support regulatory-ready New Approach Methodologies (NAMs). The successful candidate will lead cross-functional projects, deliver production-grade models and agentic systems, and help establish governance and MLOps practices that ensure reproducibility, transparency, and ethical AI use in preclinical research.

Responsibilities

Lead deployment of advanced AI/ML solutions (multimodal transformers, graph or sequence models, Bayesian/probabilistic approaches) for toxicity prediction and translational safety applications.
Design and implement agentic AI systems tailored to toxicology use cases.
Specialize in the fine-tuning and alignment of foundation models for toxicology domain-specific applications and supporting new approach methods (NAMs).
Drive collaboration with cross-functional teams of toxicologists, computational scientists, biologists, and chemists to ensure explainability, reproducibility, and address specific "context of use" regulatory requirements for safety assessments.
Champion best practices in model governance, and responsible AI within a regulated environment, helping to establish frameworks for responsible and ethical AI deployment in preclinical research.
Present and communicate science in key internal and external toxicology forums.

Requirements

Ph.D. or M.S. in Computer Science, Computational Biology, Computational Chemistry, Bioinformatics, Statistics, or related field.
0+ years post-PhD or 3+ years post-MS experience developing and deploying AI/ML models.
Hands-on experience with large language models and agentic AI frameworks (fine-tuning, prompt engineering, multi-agent orchestration, tool use, and API-based production orchestration) required.
Proven experience integrating and modeling multimodal datasets (omics, chemical, textual, imaging).
Strong software development skills in Python and familiarity with modern ML frameworks (e.g., PyTorch, TensorFlow), MLOps tools, cloud platforms (AWS preferred), and HPC environments.
Excellent communication skills; ability to translate complex technical work to domain experts and leadership.

Skills

Computational Biology
Computational Chemistry
Data Engineering
Data Modeling
Data Science
Data Visualization
Environmental Toxicology
Foundation Engineering
Large Language Models (LLMs)
Machine Learning (ML)
Machine Learning Operations
Prompt Engineering
Regulatory Requirements
Software Development
Stakeholder Relationship Management
Toxicology
Uncertainty Quantification
Probabilistic/Bayesian modeling
Uncertainty quantification
Causal inference
Agentic systems design
Human-in-the-loop workflows
Reinforcement learning for agent behavior control
Regulated environments
Regulator-ready models

Location

Domestic/International

Work Type

Hybrid

Experience Level

Senior
0+ years post-PhD
3+ years post-MS

Education Level

Ph.D.
M.S.

Salary/Compensations

$129,000.00 - $203,100.00

Benefits

Annual bonus
Long-term incentive
Medical
Dental
Vision healthcare
Other insurance benefits (for employee and family)
Retirement benefits, including 401(k)
Paid holidays
Vacation
Compassionate and sick days

About the Company

Our company is a global health care leader with a diversified portfolio of prescription medicines, vaccines and animal health products. The difference between potential and achievement lies in the spark that fuels innovation and inventiveness; this is the space where we have codified our legacy for over a century. Our success is backed by ethical integrity, forward momentum, and an inspiring mission to achieve new milestones in global healthcare.

Equal Opportunity

As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants for employment and prohibit discrimination on the basis of race, color, age, religion, sex, sexual orientation, gender identity, national origin, protected veteran status, disability status, or other applicable legally protected characteristics. As a federal contractor, we comply with all affirmative action requirements for protected veterans and individuals with disabilities.