Senior Specialist, Data Analysis

MSD; Cambridge (MA); On-site; USD 160,000 - 251,000; Full time

Benefits offered by this job

Medical, dental, vision insurance

401(k) retirement plan

Paid holidays

Vacation

Sick days

Job summary

MSD is seeking a Senior Specialist in Modeling & Informatics to advance AI/ML methods and cheminformatics in early target discovery. You will collaborate with computational and experimental teams to apply innovative computational approaches to medicinal chemistry challenges. The role emphasizes developing scalable informatics workflows, data visualization, and publishing scientific findings.

A Ph.D. and strong publication record are preferred; base salary range is substantial with comprehensive

Qualifications

• Experience applying cheminformatics or AI/ML approaches to drug discovery problems.
• Broad understanding of modern data science methods, including predictive modeling and explainable ML.
• Strong communication and problem-solving skills; track record of peer-reviewed publications.
• Proficiency in scripting (Python and/or R), SQL, and cheminformatics toolkits (RDKit, OEChem).

Responsibilities

• Implement and apply AI/ML and cheminformatics workflows to early target discovery data analysis.
• Analyze and summarize complex chemical biology data; communicate findings with visuals.
• Deliver optimized informatics algorithms and workflows for small molecules, peptides, degrader pipelines.
• Leverage ML, statistics, and cheminformatics to improve hit identification across screening paradigms.
• Integrate internal and external knowledge to identify biological and chemical signatures.
• Collaborate across cross-functional teams to advance projects and pipelines.
• Evaluate new tech and software from commercial/open sources for drug discovery.
• Communicate results via presentations and publications.

Skills

AI/ML

cheminformatics

Biological Data Analysis

Publications

Python

R

SQL

Data Visualization

Communication

Team Collaboration

Education

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

Tools

RDKit

OEChem

DeepChem

TensorFlow

Keras

PyTorch

Pandas

Scikit-Learn

Pipeline Pilot

KNIME

Spotfire

Job description

Senior Specialist, Modeling & Informatics

We are seeking an exceptional and highly motivated informatician to join the Cheminformatics group within Modeling and Informatics (M&I) at our 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 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.

Required Skills:

Academic Research, Algorithms, Biological Data Analysis, Biomarker Discovery, Biovia Pipeline Pilot, Chemical Informatics, Computational Biology, Data Analysis, Data Management, Data Modeling, Data Visualization, Drug Discovery Research, KNIME, Machine Learning (ML), Python (Programming Language), Scientific Research, Scientific Writing, TIBCO Spotfire, Virtual Screening

The salary range for this role is

$159,600.00 - $251,200.00

This is the lowest to highest salary we in good faith believe we would pay for this role at the time of this 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.

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.

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

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