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Senior Scientist, Data Science (PDMB)

Merck - South San Francisco, CA

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Job Description

OverviewAre you passionate about applying cutting-edge AI/ML to transform drug discovery? The Pharmacokinetics, Dynamics, Metabolism, and Bioanalytics (PDMB) department is seeking an AI/ML expert to reimagine how PDMB assesses and optimizes drug candidates. You will join a dynamic Data Science team accelerating discovery through advanced analytics, predictive modeling, and decision-support tools. In this role, you will invent, build, and deploy novel AI/ML approaches to identify and optimize drug candidates with balanced efficacy, safety, and developability profiles. You’ll collaborate with principal investigators and lab-based 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. 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-author 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 large language models 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 Other Details Note: This position is available in SSF, CA; Boston/Cambridge, MA; Rahway, NJ or West Point, PA based on candidate preference. Company and Equal Opportunity Statement 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 legally protected characteristics. We comply with affirmative action requirements for protected veterans and individuals with disabilities. If you need an accommodation during the application or hiring process, please request it here. U.S. Hybrid Work Model: Effective September 5, 2023, employees in office-based positions in the U.S. will follow a Hybrid work model (three on-site days per week, with a remote day on Friday unless business needs require otherwise). This model does not apply to field-based, facility-based, or remote-only roles, or positions with a collective-bargaining agreement unless stated otherwise. The salary range for this role is $156,500.00 - $246,300.00. This range reflects good-faith estimates at the time of posting. Final compensation is based on education, experience, location, and business needs. Eligible for annual bonus and long-term incentives, if applicable. Benefits include medical, dental, vision, retirement plans, paid holidays, vacation, and sick days. For details, see the company compensation and benefits information. How to apply: You can apply for this role through the company careers site. The application deadline is listed on the posting. Requirements Location-specific notices and additional requirements for certain jurisdictions may apply. See the posting for details. #J-18808-Ljbffr

Created: 2025-09-26

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