Senior Specialist, Cheminformatics AI/ML

Job Description

Position Description

We are seeking a highly motivated and exceptional Cheminformatician and AI/ML data scientist to join the Cheminformatics group within Modeling and Informatics (M&I) at our Boston/Cambridge, MA or Rahway, NJ sites. This role requires strong interpersonal and problem-solving skills. 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 a diverse and inclusive team within our Research Laboratories Discovery Chemistry organization, comprising approximately 60 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 and world-class chemistry teams 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 all aspects of the Design, Make, Test, and Analyze (DMTA) cycles, including compound idea generation, library design, synthesis planning, and data analysis.

• Leverage novel ML, statistics, and cheminformatics techniques to improve hit identification and hit-to-lead processes for different screening technologies (mRNA display, DNA-Encoded Libraries, high-throughput screening, virtual screening).

• Deliver optimized informatics algorithms and workflows to expedite drug discovery pipelines for various modalities, such as peptides, antibody-drug conjugates, and targeted protein degraders.

• 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 knowledge to augment team skills and capabilities.

Position Qualifications:

Education Minimum Requirement:

• Ph.D., MS, or BS in cheminformatics, computational chemistry, chemistry, chemical engineering, or related fields

Required Experience and Skills:

• 0+ years of experience (with PhD), 4+ years of experience (with MS) or 7+ years of experience (with BS) in 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, generative modeling, retrosynthesis prediction, active learning, explainable ML.

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

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

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

Preferred Experience and Skills:

• Track record of scientific publications in peer-reviewed journals.

• 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.

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

• Experience working in multidisciplinary teams that include experimental scientists.

NOTICE FOR INTERNAL APPLICANTS

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.

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Effective September 5, 2023, employees in office-based positions in the U.S. will be working a Hybrid work consisting of three total days on-site per week, Monday - Thursday, although the specific days may vary by site or organization, with Friday designated as a remote-working day, unless business critical tasks require an on-site presence.This Hybrid work model does not apply to, and daily in-person attendance is required for, field-based positions; facility-based, manufacturing-based, or research-based positions where the work to be performed is located at a Company site; positions covered by a collective-bargaining agreement (unless the agreement provides for hybrid work); or any other position for which the Company has determined the job requirements cannot be reasonably met working remotely. Please note, this Hybrid work model guidance also does not apply to roles that have been designated as “remote”.

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Expected US salary range:

Available benefits include bonus eligibility, long term incentive if applicable, health care and other insurance benefits (for employee and family), retirement benefits, paid holidays, vacation, and sick days. A summary of benefits is listedhere.

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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

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