Senior Data Scientist, Agentic AI and Machine Learning at MSD | Boston, US | Rezi

Senior Data Scientist, Agentic AI and Machine Learning at MSD

Senior Data Scientist, Agentic AI and Machine Learning

MSD · Boston, US

2 months ago

Senior Data Scientist, Agentic AI and Machine Learning

MSD · Boston, US

2 months ago
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About the Role

Develop, benchmark, deploy, and integrate world-class agentic AI and Machine Learning within the Pharmacokinetics, Dynamics, Metabolism, and Bioanalytics (PDMB) department. Partner with scientists to pioneer AI/ML innovations that augment scientific insight, streamline workflows, and improve decision-making across the drug development lifecycle to advance transformative medicines. This role requires a strong technical background, collaboration with stakeholders, and the ability to communicate across science, technology, and business strategy to deliver "human in the loop" AI/ML. It is central to integrating AI/ML for insight and efficiency across the R&D portfolio to deliver transformative medicines for patients.

Responsibilities

  • Act as a trusted technical partner to DMPK scientists, clinical pharmacologists, statisticians, clinicians, and research leaders.
  • Facilitate cross-functional alignment.
  • Translate scientific and operational needs into clear AI/ML solution requirements.
  • Communicate clearly with technical and non‑technical audiences, explaining capabilities, limitations, and trade-offs.
  • Design, develop, benchmark, and deploy AI agents to support PDMB and clinical workflows.
  • Support automated report generation, quality evaluation, consistency checks, process monitoring, deviation detection, scheduling, prioritization, and alerting systems.
  • Apply agent development frameworks and architectures (e.g., tool-using agents, workflow agents, human-in-the-loop systems).
  • Integrate agents and ML methods into existing R&D platforms, laboratory systems, data lakes, and clinical data environments.
  • Develop and apply machine learning and deep learning models for DMPK and clinical applications.
  • Build and evaluate simulation and hybrid ML–mechanistic models to support decision-making in discovery and development.
  • Apply best practices in model validation, benchmarking, uncertainty estimation, and performance monitoring.
  • Define benchmarks and success metrics for AI agents and ML models, including scientific quality, operational efficiency, and user adoption.
  • Implement ongoing monitoring for model drift, data quality, agent behavior, and downstream impact.
  • Contribute to responsible AI practices, including transparency, reproducibility, governance, and compliance with GxP considerations.
  • Define and track value metrics such as time savings, cost avoidance, throughput improvements, and decision quality.
  • Quantify and communicate return on investment (ROI) and business impact from deployed AI and ML solutions.
  • Support prioritization of AI initiatives based on scientific impact, feasibility, and value creation.

Requirements

  • Master’s degree (with 3 years of experience) or Ph.D. in Data Science, Computer Science, Computational Chemistry, Bioinformatics, Applied Mathematics, or a related quantitative field.
  • Relevant experience developing and deploying AI, machine learning, or Analytics systems in industry or applied research environments.
  • 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).
  • Proven experience integrating and modeling multimodal datasets (omics, chemical, textual, imaging).
  • Experience in model evaluation and benchmarking.
  • Strong software development skills in Python.
  • Familiarity with modern ML frameworks (e.g., PyTorch, TensorFlow), MLOps tools, cloud platforms (AWS preferred), and HPC environments.
  • Experience driving consensus in cross-functional teams spanning science, engineering, and operations.
  • Experience in stakeholder management and influencing without authority.
  • Excellent communication skills; ability to translate complex technical work to domain experts and leadership.

Skills

  • Strong foundation in machine learning algorithms, including deep learning, supervised/unsupervised learning, and time-series or sequence modeling.
  • Experience with foundation models (e.g., large language models, multimodal models) and techniques for adaptation (prompting, fine-tuning, retrieval-augmented generation).
  • Practical experience with AI agent frameworks, orchestration, and tool integration.
  • Expertise in model evaluation and benchmarking, including offline metrics and real-world performance monitoring.
  • Proven ability to work with large-scale, heterogeneous datasets (biological, chemical, clinical, operational).
  • Proficiency in Python and modern ML/data science tooling.
  • Experience with scalable data and model deployment environments.
  • Demonstrated strength in stakeholder management and influencing without authority.
  • Experience driving consensus in cross-functional teams spanning science, engineering, and operations.
  • Ability to independently lead initiatives from problem definition through deployment and impact measurement.
  • Strong written and verbal communication skills.
  • Agentic AI
  • Agentic Design
  • Data Modeling
  • Data Science
  • Data Visualization
  • Machine Learning (ML)
  • Machine Learning Methods
  • Machine Learning Model Development
  • Python (Programming Language)
  • Report Generation Software
  • Stakeholder Relationship Management
  • Prior experience working in pharmaceutical or biotechnology R&D environments (Preferred).
  • Familiarity with PK/PD modeling, DMPK assays, and clinical pharmacology concepts (Preferred).
  • Exposure to GxP-regulated environments and validation considerations for AI/ML systems (Preferred).
  • Experience deploying AI systems with human-in-the-loop workflows (Preferred).

Location

  • South San Francisco, CA
  • Boston, MA
  • West Point, PA

Work Type

  • Full-time
  • Hybrid

Experience Level

  • Senior level
  • 3+ years of relevant experience (with Master's degree)

Education Level

  • Master’s degree in Data Science, Computer Science, Computational Chemistry, Bioinformatics, Applied Mathematics or a related quantitative field.
  • Ph.D. in Data Science, Computer Science, Computational Chemistry, Bioinformatics, Applied Mathematics or a related quantitative field.

Salary/Compensations

  • $129,000.00 - $203,100.00

Benefits

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

About the Company

  • Global health care leader with a diversified portfolio of prescription medicines, vaccines, and animal health products.
  • Legacy of innovation and inventiveness for over a century.
  • Success backed by ethical integrity, forward momentum, and a mission to achieve new milestones in global healthcare.

Equal Opportunity

  • Committed to inclusion and ensuring candidates can engage in a hiring process that exhibits their true capabilities.
  • Provides equal opportunities to all employees and applicants for employment.
  • Prohibits 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.
  • Complies with all affirmative action requirements for protected veterans and individuals with disabilities as a federal contractor.
  • Embraces the value of bringing together talented, committed people with diverse experiences, perspectives, skills, and backgrounds in an inclusive environment.
  • Encourages colleagues to respectfully challenge one another’s thinking and approach problems collectively.
  • For San Francisco Residents: Considers qualified applicants with arrest and conviction records for employment in compliance with the San Francisco Fair Chance Ordinance.
  • For Los Angeles Residents: Considers for employment all qualified applicants, including those with criminal histories, consistent with applicable state and local laws, including the City of Los Angeles’ Fair Chance Initiative for Hiring Ordinance.