Senior Data Specialist, Modeling & Informatics

Job Description

Position Description

We are seeking an exceptional and highly motivated informatician to join the Cheminformatics group within Modeling and Informatics (M&I) at our company. This role requires strong interpersonal and problem-solving skills and experience working in a cross-functional team environment. It involves both the development of innovative computational methods involving AI/ML and cheminformatics, as well as direct application of advanced computational approaches to the invention of novel medicines.

M&I is an inclusive team within our Research & Development Division Discovery Chemistry organization, comprising approximately 50 computational chemists, cheminformaticians, and data scientists. We leverage cutting-edge capabilities in structure-based modeling, predictive science, and AI/ML to drive drug design and development globally, with a proven track record of pipeline impact.

The selected candidate will work closely with the M&I team, our world-class chemistry teams, as well as cross-functionally with experimental and computational colleagues in the early target discovery space on innovative science that has a wealth of opportunities to impact drug discovery and ultimately save and improve patient lives.

Key responsibilities will include:

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

Position Qualifications :

Education Minimum Requirement:

Ph.D. in cheminformatics, bioinformatics, computational biology or chemistry, computer science, statistics or related STEM fields

Required Experience and Skills:

Experience applying cheminformatics or AI/ML approaches to problem-solving in drug discovery.

Broad understanding of modern data science methods, particularly machine learning, e.g., predictive modeling, active learning, explainable ML.

Strong oral and written communication skills, as well as problem-solving skills.

Track record of scientific publications in peer-reviewed journals.

Proficiency in scripting (Python and/or R), SQL, and cheminformatics toolkits (OEChem, RDKit, DeepChem).

Preferred Experience and Skills:

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, AWS), and high-performance computing in Linux environments.

Expertise in machine learning libraries (TensorFlow, Keras, PyTorch, Pandas, Scikit-Learn).

Experience with workflow applications and data analytics software (Pipeline Pilot, Knime, Spotfire).

Experience with high throughput screening data analysis methods.

Experience in chemical and biological signature identification and/or biomarker discovery.

Familiarity with or experience with multiple therapeutic modalities (small molecules, peptides, ADCs, etc.)

Experience working in multidisciplinary teams that include experimental scientists.

#EligibleforERP

Required Skills:

Algorithms, Biological Data Analysis, Biomarker Discovery, Biovia Pipeline Pilot, Chemical Informatics, Cheminformatics, Computational Biology, Data Analysis, Data Modeling, Drug Discovery Research, Informatics, KNIME, Machine Learning (ML), Python (Programming Language), TIBCO Spotfire

Preferred Skills:

Current Employees apply HERE

Current Contingent Workers apply HERE

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. Please click here if you need an accommodation during the application or hiring process.

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.

Learn more about your rights, including under California, Colorado and other US State Acts

The primary location for this posting is:

USA - Massachusetts - Cambridge (320 Bent Street)

Where required by law, the compensation range for this role is provided below.

The salary range for the primary location of this role is:

$159,600.00 - $251,200.00

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.

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

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:

No

Travel Requirements:

No Travel Required

Flexible Work Arrangements:

Not Applicable

Shift:

Not Indicated

Valid Driving License:

No

Hazardous Material(s):

N//A

Job Posting End Date:

11/6/2026 *A job posting is effective until 11:59:59PM on the day BEFORE  the listed job posting end date. Please ensure you apply to a job posting no later than the day BEFORE the job posting end date.