Director, Cheminformatics – Modeling & Informatics

MSD

. Set vision and strategy for cheminformatics capabilities and platforms that accelerate scientific learning and decision-making in drug discovery .

Posted 10/23/2026full-timeBoston • Massachusetts • United StatesLead💰 $236,000 - $371,500 per yearWebsite

Core Competencies

Role fit

Core Competencies

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Demonstrates expertise in cheminformatics and data science, with a strong focus on developing and implementing advanced computational workflows and machine learning approaches in drug discovery. Proven ability to lead diverse teams, engage stakeholders, and translate scientific challenges into scalable solutions.

Highest-signal resume keywords

CheminformaticsData ScienceMachine Learning (ML)Cloud ComputingPeople Management

ATS Keywords

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Applicant Tracking System Keywords

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Hard Skills

Artificial Intelligence (AI)Computational ChemistryData ModelingComputer Aided Drug DesignQuantitative Structure Activity Relationship (QSAR)Data EngineeringPredictive ModelingMLOps/DataOpsModern Computational WorkflowsDrug Discovery Process

Soft Skills

Team BuildingTalent DevelopmentInclusive LeadershipStakeholder EngagementCommunication

Tools & Technologies

Cloud-Based SystemsData AnalyticsScientific Software DevelopmentData ArchitecturesKnowledge Graphs

Industry Keywords

Drug DiscoveryBiophysicsBiostatisticsQuantitative BiologyInterdisciplinary Scientific Problems

Tech Stack

Tools & technologies

Cloud

About the role

Key responsibilities & impact

Set vision and strategy for cheminformatics capabilities and platforms that accelerate scientific learning and decision-making in drug discovery
Lead a multi-site team of cheminformatics and data science specialists across data engineering, analytics, and scientific software development
Develop talent, foster diversity of thought, and build an inclusive, high-performing team culture
Engage stakeholders across drug discovery, from early target identification and chemical biology through lead optimization and safety
Translate scientific challenges into scalable data architectures, workflows, and algorithmic approaches
Drive next-generation cheminformatics workflows using machine learning, knowledge graphs, and emerging AI approaches
Ensure capabilities are deployed and adopted with project teams and modeling partners
Partner with IT to co-develop robust, sustainable platforms supporting scientific workflows
Balance investment in new capabilities with effective use of existing solutions
Collaborate with Bioinformatics, Biostatistics, Quantitative Biology, and Modeling leaders on data science strategy and priorities
Contribute to cross-divisional alignment on data science and informatics
Work with Modeling, Structure, and Biophysics leadership to identify cheminformatics opportunities
Maintain visibility across the discovery portfolio to identify emerging needs and scalable support opportunities

Requirements

What you’ll need

BS, MS, or PhD in cheminformatics, bioinformatics, chemistry, biology, biochemistry, physics, statistics, computational chemistry, computational biology, data science, AI/ML, computer science, math, pharmaceutical sciences, engineering, or a related STEM field
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 early drug discovery
Experience enabling predictive modeling and advanced analytical approaches in a collaborative, matrixed environment
Ability to collaborate across functions and influence strategy across scientific and technical domains
Experience engaging effectively with IT organizations to co-develop scalable platforms
Strong communication and stakeholder engagement skills, with ability to translate complex technical concepts into actionable solutions
Required skills: Artificial Intelligence (AI), Cheminformatics, Chemistry, Cloud Computing, Computational Chemistry, Computer Aided Drug Design, Data Modeling, Data Science, Drug Discovery Process, Machine Learning (ML), Model Development, People Management, Quantitative Structure Activity Relationship (QSAR), Stakeholder Engagement, Stakeholder Relationship Management
Must be eligible to work in the United States or Puerto Rico; visa sponsorship is available

Benefits

Comp & perks

Annual bonus
Long-term incentive, if applicable
Medical, dental, and vision healthcare
Other insurance benefits for employee and family
Retirement benefits, including 401(k)
Paid holidays
Vacation
Compassionate days
Sick days
Visa sponsorship
Domestic relocation