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Merck AI/ML Data Scientist in Helena, Montana

Job Description

The Digital Operations and Innovation (DOI) group within Nonclinical Drug Safety (NDS) is seeking a motivated Data Scientist to work in the field of predictive toxicology. This role will be supporting an essential part of broader efforts within NDS to be an industry leader in the application of data sciences to drug safety prediction. The successful candidate will have a strong background in Artificial Intelligence (AI) approaches to support ongoing efforts in building predictive machine learning (ML) models for toxicology endpoints, leveraging cross-functional multifaceted pharmaceutical discovery and development data. The incumbent will apply AI approaches to understand and improve drug de-risking, and safety prediction to influence early pipeline decision making.

Key Responsibilities:

  • Inform prioritization for in vitro and in vivo toxicology resources using QSAR, probabilistic, and neural networks ML models to predict potential on/off-target activities of drugs, to provide new mechanistic hypotheses leveraging multiple internal and external datasets such as gene-expression profiles, pharmacology, in vitro and in vivo mechanistic toxicology, among others

  • Prepare ML model-ready datasets by curation, integration, and harmonization of safety data from internal and external domains in partnership with the subject-matter experts across the broader PCD (Preclinical Development) and our Research Division (Company Research Laboratories) IT organizations.

  • Work collaboratively with colleagues across multiple sites to deploy, utilize, and increase the visibility of ML approaches in selection of chemical series with a high probability of success

  • Upskill NDS staff on the utility of predictive AI/ML approaches in drug safety

  • Stay abreast with new developments in the field of predictive science/analytics


  • Masters or Ph.D. degree in biomedical engineering, computer science, computational biology, cheminformatics, bioinformatics, and related data science fields

  • Proficiency in one or more programming languages such as python, R, JavaScript, required

  • Experience with different statistical ML techniques (both supervised and unsupervised learning required); Familiarity with DNN, Generative AI models plus

  • Familiarity with relational databases and knowledge of SQL, PostgreSQL

  • Experience with high-performance or cloud computing environments

  • Version control and related code reproducibility practices (git, documentation, etc.)

  • Previous experience working in the pharmaceutical industry is a plus

  • Self-motivated with a high level of autonomy

  • Strong interpersonal skills with a collaborative mindset

  • Domestic travel 10-20% is required

We are a research-driven biopharmaceutical company. Our mission is built on the simple premise that if we “follow the science” that great medicines can make a significant impact to our world. We believe that a research-driven enterprise dedicated to world-class science can succeed by inventing medicine and vaccine innovations that make a difference for patients across the globe.

Who we are …

We are known as Merck & Co., Inc., Rahway, New Jersey, USA in the United States and Canada and MSD everywhere else. For more than a century, we have been inventing for life, bringing forward medicines and vaccines for many of the world's most challenging diseases. Today, our company continues to be at the forefront of research to deliver innovative health solutions and advance the prevention and treatment of diseases that threaten people and animals around the world.

What we look for …

Imagine getting up in the morning for a job as important as helping to save and improve lives around the world. Here, you have that opportunity. You can put your empathy, creativity, digital mastery, or scientific genius to work in collaboration with a diverse group of colleagues who pursue and bring hope to countless people who are battling some of the most challenging diseases of our time. Our team is constantly evolving, so if you are among the intellectually curious, join us—and start making your impact today.


In accordance with Managers' Policy - Job Posting and Employee Placement, all employees subject to this policy are required to have a minimum of twelve (12) months of service in current position prior to applying for open positions.

If you have been offered a separation benefits package, but have not yet reached your separation date and are offered a position within the salary and geographical parameters as set forth in the Summary Plan Description (SPD) of your separation package, then you are no longer eligible for your separation benefits package. To discuss in more detail, please contact your HRBP or Talent Acquisition Advisor.

Residents of Colorado

Click here ( to request this role’s pay range.

New hires in office-based roles in the US & Puerto Rico will be required, subject to applicable law, to demonstrate that they have been fully vaccinated for COVID-19 or qualify for a medical or religious exemption to this vaccination requirement that can be accommodated without an undue burden to the operation. However, subject to applicable law, employees working in roles that the Company determines require routine collaboration with external stakeholders, such as employees in health services, customer facing commercial, or research based roles, will be required to be fully vaccinated as a condition of employment.

Current Employees apply HERE ($1533/rel-task/3001$14.htmld)

Current Contingent Workers apply HERE ($4020.htmld)

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.

For more information about personal rights under Equal Employment Opportunity, visit:

EEOC Poster (

EEOC GINA Supplement​

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Pay Transparency Nondiscrimination

We are proud to be a company that embraces the value of bringing diverse, talented, and committed people together. The fastest way to breakthrough innovation is when diverse ideas come together in an inclusive environment. We encourage our colleagues to respectfully challenge one another’s thinking and approach problems collectively. We are an equal opportunity employer, committed to fostering an inclusive and diverse workplace.

Residents of Colorado:

Click here ( to request this role’s pay range.

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:



No relocation

VISA Sponsorship:


Travel Requirements:


Flexible Work Arrangements:

Hybrid, On-Site, Remote Work


Valid Driving License:

Hazardous Material(s):

Number of Openings:


Requisition ID: R201193