Director, Cheminformatics - Modeling & Informatics

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

Job summary

Merck is seeking a Director of Cheminformatics – Modeling & Informatics to lead a multi-site team driving data science innovations across drug discovery. You will translate scientific questions into scalable data architectures, workflows, and algorithmic solutions, partnering with IT to embed solutions in the DMTA cycle and promoting a data-fluent culture.

You will develop talent, foster inclusion, and drive collaboration across chemistry, biology, and IT.

Qualifications

• PhD with 7+ years or MS with 9+ years or BS with 13+ years in relevant field.
• 2+ years of managerial experience
• Experience designing modern computational workflows, cloud-based systems, and MLOps/DataOps
• Strong cheminformatics, data analytics, and data engineering knowledge in drug discovery
• Ability to influence strategy across scientific and technical domains
• Experience partnering with IT to co-develop scalable platforms

Responsibilities

• Sets vision and strategy for cheminformatics capabilities and platforms.
• Leads a multi-site team of cheminformatics and data science specialists.
• Develops talent and fosters inclusive leadership.
• Engages stakeholders across drug discovery to translate needs into solutions.
• Translates challenges into scalable data architectures and workflows.
• Drives next-gen cheminformatics workflows with ML, knowledge graphs, and AI.
• Ensures deployment and adoption with project teams and modeling partners.
• Builds partnerships with IT for robust platforms.
• Balances investment in new capabilities with existing solutions.
• Collaborates with Bioinformatics, Biostatistics, and Modeling leaders on data science strategy.
• Contributes to cross-divisional alignment on data science and informatics's role.
• Works with Modeling, Structure, and Biophysics to align opportunities.
• Maintains visibility across the portfolio for scalable support.

Skills

AI

Cheminformatics

Chemistry

Cloud Computing

Computational Chemistry

Computer Aided Drug Design

Data Modeling

Data Science

Drug Discovery Process

Machine Learning

Model Development

People Management

QSAR

Stakeholder Engagement

Stakeholder Relationship Management

Education

STEM PhD/MS/BS

Job description

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, Data Science, Drug Discovery Process, Machine Learning (ML), Model Development, People Management, Quantitative Structure Activity Relationship (QSAR), Stakeholder Engagement, Stakeholder Relationship Management

US And Puerto Rico Residents Only

Our company is committed to inclusion, ensuring that candidates can engage in a hiring process that exhibits their true capabilities.

Requirements

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.

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 the position. 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.

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

Search Firm Representatives Please Read Carefully

Merck & Co., Inc., Rahway, NJ, USA, also known as Merck Sharp & Dohme LLC, Rahway, NJ, USA, does not accept unsolicited assistance from search firms for employment opportunities. All CVs / resumes submitted by search firms to any employee at our company without a valid written search agreement in place for this position will be deemed the sole property of our company. No fee will be paid in the event a candidate is hired by our company as a result of an agency referral where no pre‑existing agreement is in place. Where agency agreements are in place, introductions are position specific. Please, no phone calls or emails.

Employee Status Regular

Relocation Domestic

VISA Sponsorship Yes

Travel Requirements 10%

Flexible Work Arrangements Not Applicable

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