Senior Data Specialist, Modeling & Informatics

MSD • Cambridge, MA

1d • $159,600 - $251,200

About The Position

Merck is seeking an exceptional and highly motivated informatician to join the Cheminformatics group within Modeling and Informatics (M&I), part of the Research & Development Division Discovery Chemistry organization. The role combines development of innovative computational methods involving AI/ML and cheminformatics with direct application of advanced computational approaches to the invention of novel medicines.

M&I is an inclusive team of approximately 50 computational chemists, cheminformaticians, and data scientists. The team leverages structure-based modeling, predictive science, and AI/ML to support drug design and development globally. The selected candidate will work closely with M&I, chemistry teams, and experimental and computational colleagues in early target discovery, contributing to innovative research with potential impact on drug discovery and patient outcomes.

Requirements

• Ph.D. in cheminformatics, bioinformatics, computational biology or chemistry, computer science, statistics, or a related STEM field.
• Experience applying cheminformatics or AI/ML approaches to problem-solving in drug discovery.
• Broad understanding of modern data science methods, particularly machine learning, including predictive modeling, active learning, and explainable ML.
• Strong oral and written communication skills and problem-solving skills.
• Track record of scientific publications in peer-reviewed journals.
• Proficiency in scripting with Python and/or R, SQL, and cheminformatics toolkits such as OEChem, RDKit, or DeepChem.

Nice To Haves

• Demonstrated ability to develop and apply AI/ML to problems of chemical or biological interest.
• Experience with IT infrastructure such as database systems, cloud computing (such as Databricks or AWS), and high-performance computing in Linux environments.
• Expertise in machine learning libraries such as TensorFlow, Keras, PyTorch, Pandas, or Scikit-Learn.
• Experience with workflow applications and data analytics software such as Pipeline Pilot, Knime, or Spotfire.
• Experience with high-throughput screening data analysis methods.
• Experience in chemical and biological signature identification and/or biomarker discovery.
• Familiarity with or experience in multiple therapeutic modalities, such as small molecules, peptides, and ADCs.
• Experience working in multidisciplinary teams that include experimental scientists.

Responsibilities

• Implement and apply effective AI/ML and cheminformatics workflows to impact data analysis in the early target discovery space.
• Analyze, interpret, and summarize complex chemical biology data, using data visualization tools to communicate findings.
• Deliver optimized informatics algorithms and workflows to expedite drug discovery pipelines in early target discovery for small molecules, peptides, and targeted protein degraders.
• Apply novel machine learning, statistics, and cheminformatics techniques to improve hit identification across screening paradigms.
• Analyze and integrate internal and external knowledge to facilitate biological and chemical signature identification.
• Engage proactively with cross-functional teams of experimental and computational scientists and collaborate to advance project and pipeline goals.
• Continue research in AI/ML and cheminformatics relevant to drug discovery, and evaluate technology and software from commercial sources, open innovation, or external collaborations.
• Communicate scientific results internally and externally through presentations and publications.
• Share AI/ML and/or data engineering knowledge to augment team skills and capabilities.

Benefits

• Medical, dental, and vision healthcare and other insurance benefits for employees and family.
• Retirement benefits, including 401(k).
• Paid holidays, vacation, compassionate days, and sick days.
• Eligible for annual bonus and long-term incentive, if applicable.

What This Job Offers

• Job Type: Full-time
• Career Level: Senior
• Education Level: Ph.D. or professional degree