Overview Are you passionate about applying cutting-edge AI/ML to transform drug discovery? The Pharmacokinetics, Dynamics, Metabolism, and Bioanalytics (PDMB) department seeks an AI/ML expert to reimagine how PDMB assesses and optimizes drug candidates. You will join a Data Science team accelerating discovery through advanced analytics, predictive modeling, and decision-support tools. You will invent, build, and deploy AI/ML approaches to identify and optimize drug candidates with balanced efficacy, safety, and developability profiles. You’ll collaborate with principal investigators and lab scientists to refine experimental designs, generate testable hypotheses, and deliver intuitive visualizations and models at the intersection of translational PK/PD, ADME, bioanalytics, and data science. Responsibilities Develop and deploy AI/ML models (e.g., active learning, Bayesian optimization, multi-objective optimization) to improve decision-making in preclinical and early development. Build robust data pipelines to capture, integrate, curate, and visualize multimodal data (in vitro, in vivo, in silico; PK/PD, ADME, omics, imaging) to enable reproducible analysis at scale. Partner with IT data engineers/architects to design scalable, secure data and model infrastructure (data lakes, feature stores, MLOps) aligned with PDMB scientific needs. Inform project strategy by guiding experimental design, assay selection, and candidate optimization; communicate model insights, uncertainty, and trade-offs to cross-functional teams. Translate complex analytics into actionable recommendations and easy-to-use tools/dashboards for scientists and project leaders. Stay current on emerging methods (e.g., foundation models, generative design, causal inference) and evaluate their applicability to PDMB problems. Note: This position is available in SSF, CA; Boston/Cambridge, MA; Rahway, NJ or West Point, PA based on candidate preference. Qualifications Education: Ph.D. (or Ph.D. candidate with expected graduation date by March 31, 2026) in Computer Science, Statistics, Applied Mathematics, Bioinformatics, Computational Biology, Computational Chemistry, Chemical Informatics, Engineering or related fields with relevant experience. Required Experience and Skills: Proven track record of research with first-coauthor publications at top-tier peer-reviewed journals or conferences. Strong foundation in statistics and machine learning, including model development, validation, and performance/uncertainty assessment. Experience working with high-dimensional, heterogeneous datasets; grounding in data quality, curation, and feature engineering. Ability to communicate complex analyses clearly to non-experts and to collaborate effectively in interdisciplinary teams. Preferred Experience and Skills: Domain knowledge in chemistry, molecular biology, and/or biochemistry; familiarity with PK/PD and ADME concepts. Experience with deep learning or generative models for molecular design, QSAR, property prediction, or LLM on scientific text. Experience with cloud platforms and data/ML services (AWS/Azure/GCP), containers (Docker), workflow orchestration (Airflow, Prefect), and MLOps (MLflow, SageMaker). Ability to influence and enable scientific teams to adopt data-driven methods and positive change. Location and eligibility Note: This role includes options for SSF, CA; Boston/Cambridge, MA; Rahway, NJ or West Point, PA based on candidate preference. US and Puerto Rico residents only welcome to apply. Employment details Salary range: $156,500.00 - $246,300.00 . The salary is the lowest to highest amount Merck in good faith believes it would pay at the time of posting. An employee’s position within the range will depend on education, qualifications, experience, skills, geographic location, government requirements, and business or organizational needs. The successful candidate will be eligible for annual bonus and long-term incentive, if applicable. We offer a comprehensive benefits package, including medical, dental, vision, retirement (401(k)), paid holidays, vacation, and sick days. More information about benefits is available at https://jobs.merck.com/us/en/compensation-and-benefits . You can apply for this role at https://jobs.merck.com/us/en (or via the Workday Jobs Hub if you are a current employee). The application deadline for this position is stated on this posting. EEO and rights As an Equal Employment Opportunity Employer, we provide equal opportunities to all employees and applicants 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 legally protected characteristics. As a federal contractor, we comply with all affirmative action requirements for protected veterans and individuals with disabilities. For more information about personal rights under U.S. Equal Opportunity Employment laws, visit: EEOC Know Your Rights EEOC GINA Supplement We are committed to diversity and inclusion and encourage colleagues to respectfully challenge one another’s thinking. Learn more about your rights, including under California, Colorado and other US state acts. Hybrid work model U.S. hybrid work model: three on-site days per week (Mon-Thu) with Friday remote, subject to business needs and any role-specific requirements. Job posting details Posting end date: 09/24/2025. A job posting is effective until the day before the listed end date. Apply by that date.

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