Director, Cheminformatics – Modeling & Informatics

MSD

Director of Cheminformatics leading a multi-site team in drug discovery innovation. Shaping cheminformatics strategies and fostering talent development in a global healthcare organization.

Posted 5/28/2026full-timeBoston • Massachusetts • 🇺🇸 United StatesLead💰 $236,000 - $371,500 per yearWebsite

Tech Stack

Tools & technologies

Cloud

About the role

Key responsibilities & impact

Sets vision and strategy for cheminformatics capabilities and platforms that accelerate scientific learning and decision-making in drug discovery
Leads a multi-site team of cheminformatics and data science specialists, spanning data engineering, analytics, and scientific software development
Actively develops talent, fosters diversity of thought, and builds an inclusive culture that engages and empowers all team members
Engages stakeholders across the drug discovery spectrum—from early target identification and chemical biology through lead optimization and safety—to understand needs and enable impactful solutions
Translates scientific challenges into scalable data architectures, workflows, and algorithmic approaches that can be broadly leveraged across multiple projects
Drives development of next-generation cheminformatics workflows through integration of modern technologies, including machine learning (e.g., generative and predictive modeling), knowledge graphs, and emerging AI approaches
Ensures that developed capabilities are effectively deployed and adopted in collaboration with project teams and modeling partners
Builds and maintains strong partnerships with IT to co-develop robust, sustainable platforms supporting scientific workflows
Balances strategic investment in new capabilities with effective utilization of existing solutions to maximize organizational value
Collaborates with leaders across Bioinformatics, Biostatistics, Quantitative Biology, and Modeling to align on data science strategy and priorities
Contributes to cross-divisional alignment on the role of data science and informatics in the organization
Works closely with Modeling, Structure, and Biophysics leadership to identify opportunities where cheminformatics can enhance broader modeling and discovery efforts
Maintains visibility across the discovery portfolio to identify emerging needs and opportunities for scalable cheminformatics support

Requirements

What you’ll need

PhD and 7+ years of professional experience applying computational and data science approaches to interdisciplinary scientific problems in drug discovery, MS and 9+ years of experience, OR BS and 13+ years of experience.
2+ years of managerial experience with demonstrated strength in team building, talent development, and inclusive leadership
Experience designing and implementing modern computational workflows, including coding best practices, cloud-based systems, and MLOps/DataOps approaches
Strong understanding of cheminformatics, data analytics, and data engineering in the context of early drug discovery
Experience enabling predictive modeling and advanced analytical approaches in a collaborative, matrixed environment
Demonstrated ability to collaborate across functions and influence strategy across scientific and technical domains
Experience engaging effectively with IT organizations to co-develop scalable platforms

Benefits

Comp & perks

medical, dental, vision healthcare and other insurance benefits (for employee and family)
retirement benefits including 401(k)
paid holidays
vacation
compassionate and sick days

ATS Keywords

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Applicant Tracking System Keywords

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Hard Skills & Tools

cheminformaticsdata sciencedata engineeringdata analyticspredictive modelingcomputational workflowsMLOpsDataOpsalgorithmic approachescloud-based systems

Soft Skills

team buildingtalent developmentinclusive leadershipcollaborationstakeholder engagementstrategic investmentcross-functional collaborationinfluence strategyfostering diversityempowering team members

Certifications

PhDMSBS