Director, Cheminformatics - Modeling & Informatics

MSD; Boston (MA); On-site; USD 236,000 - 372,000; Full time

Benefits offered by this job

Medical insurance

401(k) plan

Paid holidays and vacation

Job summary

MSD is seeking a Director of Cheminformatics – Modeling & Informatics to lead a multi-site team driving data‑driven decision making in drug discovery. You will shape capabilities, implement scalable data architectures, and advance ML/AI‑driven cheminformatics across programs.

You will mentor talent, foster inclusion, and collaborate with IT and cross‑functional leaders to align data science strategy with discovery objectives. This is a high‑impact leadership role in the Boston area.

Qualifications

• PhD and 7+ years of professional experience applying computational and data science approaches in drug discovery, MS 9+ years, or BS 13+ years.
• 2+ years of managerial experience with team building and inclusive leadership.
• Experience designing modern computational workflows, cloud-based systems, and MLOps/DataOps.
• Strong understanding of cheminformatics, data analytics, and data engineering in early drug discovery.
• Experience enabling predictive modeling and advanced analytical approaches in a collaborative environment.
• Ability to collaborate across functions and influence strategy across scientific and technical domains.
• Experience engaging with IT organizations to co-develop scalable platforms.
• Strong communication and stakeholder engagement skills.

Responsibilities

• 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 to understand needs and enable impactful solutions.
• Translates scientific challenges into scalable data architectures, workflows, and algorithmic approaches for broad project use.
• Drives development of next‑generation cheminformatics workflows with ML, knowledge graphs, and AI.
• Ensures capabilities are deployed and adopted in collaboration with project teams and modeling partners.
• Builds partnerships with IT to co‑develop robust platforms supporting scientific workflows.
• Balances strategic investment with existing solutions to maximize value.
• Collaborates with leaders across Bioinformatics, Biostatistics, Quantitative Biology, and Modeling.
• Contributes to cross‑divisional alignment on data science and informatics strategy.
• Works with Modeling, Structure, and Biophysics leadership to identify opportunities for broader impact.
• Maintains visibility across the discovery portfolio to identify needs for scalable cheminformatics support.

Skills

Cheminformatics

Data science

Leadership

Stakeholder engagement

Cloud computing

MLOps/DataOps

Predictive modeling

Computational workflows

Education

BS/MS/PhD in STEM field

Tools

Cloud platforms

Knowledge graphs

Job description

Director, Cheminformatics – Modeling & Informatics

The successful candidate will bring exceptional matrix leadership and managerial skills to drive cheminformatics and data science innovation that amplifies pipeline impact across our discovery organization. They will lead a team of highly skilled cheminformatics professionals and create an environment that supports the growth of data science talent through sustained engagement with stakeholders in chemistry, biology, and IT. In this role, the candidate will guide the development and application of cheminformatics capabilities that enable and enhance decision‑making across the drug discovery process. The team serves as a force multiplier—translating key scientific questions into scalable data architectures, workflows, and algorithmic innovations that are broadly deployed across programs. They will partner closely with stakeholders to ensure optimal use of resources and platforms provided by our research division's IT department, and to embed cheminformatics solutions into the DMTA cycle. Through active participation in cross-functional and cross-divisional data science communities, they will help shape and advance a data‑fluent culture across the organization. As a people manager, the successful candidate will demonstrate a passion for talent development and foster a diverse, inclusive, and high‑performing team culture that empowers individuals and strengthens collaboration across sites.

Responsibilities

• 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

Education Requirements

• 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

Required Experience and Skills

• 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.
• Strong communication and stakeholder engagement skills, with the 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

Employee Status and Work Details

• Employee Status: Regular
• Relocation: Domestic
• Visa Sponsorship: Yes
• Travel Requirements: 10%
• Flexible Work Arrangements: Not Applicable
• Shift: Not Indicated
• Valid Driving License: No
• Hazardous Material(s): n/a
• Job Posting End Date: 11/27/2026

Primary location for this posting is: USA - Massachusetts - Boston (MA Parcel B Laboratory)

Where required by law, the compensation range for this role is provided below. The salary range for the primary location of this role is: $236,000.00 - $371,500.00. This range reflects the Company's reasonable expectation of the base salary applicable to this role at the time of posting. An employee’s position within the salary range will be based on several factors including, but not limited to relevant education, qualifications, certifications, 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 package of benefits. Available benefits include medical, dental, vision healthcare and other insurance benefits (for employee and family), retirement benefits, including 401(k), paid holidays, vacation, and compassionate and sick days. More information about benefits is available at https://jobs.merck.com/us/en/compensation-and-benefits.

Additional location(s): Please note the salary range above applies to the Primary Location of this role. Where a role has other listed locations, different compensation guidelines may apply. You may find the salary ranges for additional locations below. If the salary range is not listed for the location you are applying to, our Talent Acquisition team will provide further information to you relevant to your location.

Additional location(s) Compensation Information: San Francisco Residents Only: We will consider qualified applicants with arrest and conviction records for employment in compliance with the San Francisco Fair Chance Ordinance Los Angeles Residents Only: We will consider for employment all qualified applicants, including those with criminal histories, in a manner consistent with the requirements of applicable state and local laws, including the City of Los Angeles’ Fair Chance Initiative for Hiring Ordinance

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 applicable 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 the U.S. Equal Opportunity Employment laws, visit: EEOC Know Your Rights EEOC GINA Supplement

We are proud to be a company that embraces the value of bringing together, talented, and committed people with diverse experiences, perspectives, skills and backgrounds.

The fastest way to breakthrough innovation is when people with diverse ideas, broad experiences, backgrounds, and skills come together in an inclusive environment.

We encourage our colleagues to respectfully challenge one another’s thinking and approach problems collectively.

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Our company is a global health care leader with a diversified portfolio of prescription medicines, vaccines and animal health products. The difference between potential and achievement lies in the spark that fuels innovation and inventiveness; this is the space where we have codified our legacy for over a century. Our success is backed by ethical integrity, forward momentum, and an inspiring mission to achieve new milestones in global healthcare.