below marketmost similar roles pay hereabove market
This role pays less than
73%
of similar roles. Most pay
$162,000–$227,337
— the blue band above.
At the midpoint, this role pays about
$166k
versus about
$195k
for comparable roles.
Based on 240 similar postings.
Employer
About MSD
MSD (Merck Sharp & Dohme) is the international name for Merck & Co., a major U.S.-based pharmaceutical company.
MSD currently has
8 open roles
on FindRole.
Listed pay typically runs
$123,000–$193,650
across 6 roles with salary data.
JOB TITLE: Senior Scientist Computational Chemistry
The Senior Scientist Computational Chemistry joins the Modeling and Informatics group to support therapeutic discovery through computational medicinal chemistry and predictive data science. This role balances direct early discovery project support with the design and deployment of machine learning models. Key responsibilities include designing molecules using structure-based and ligand-based design, molecular docking, conformational sampling, molecular dynamics, and quantum mechanics. The candidate will also build predictive AI/ML models for molecular property prediction and ADMET endpoints using Python, PyTorch, and TensorFlow. Required skills include proficiency in Linux, RDKit, and scientific programming to develop automated workflows and reusable toolkits. The position solves foundational problems in drug design by translating complex computational hypotheses into actionable synthetic targets for medicinal chemistry teams within a collaborative, multidisciplinary research environment.
Design molecules using structure-based and ligand-based design, molecular docking, and molecular dynamics.
Perform multi-parameter optimization, informative data analysis, and molecular visualization for drug discovery.
Conduct protein construct design, binding-site ligandability assessments, and virtual screenings.
Build and deploy predictive AI/ML models for molecular property prediction, ADMET endpoints, and potency.
Develop automated computational workflows and reusable Python toolkits for cheminformatics and structural modeling.
Implement cutting-edge machine learning methodologies including generative chemistry models and active learning.
Translate complex computational hypotheses into actionable synthetic targets for medicinal chemistry teams.
Mentor colleagues in emerging data science techniques and modern computational workflows.
What we're looking for
PhD in Computational Chemistry, Chemoinformatics, Chemistry, Data Science, or equivalent with a computational/data science emphasis.
Proficiency in molecular modeling techniques including docking, molecular simulation, homology modeling, quantum mechanics, and ligand- or structure-based design.
Proficiency in scientific Python programming using toolkits such as RDKit, OpenEye, Pandas, NumPy, and SciPy.
Demonstrated hands-on experience in applied machine learning, statistical modeling, or deep learning using scikit-learn, PyTorch, or TensorFlow.
Ability to communicate complex ML and computational concepts to non-specialists and collaborate within multidisciplinary teams.
Demonstrated impact on molecule design in a biopharmaceutical or biotechnology industry environment (preferred).
Expertise with commercial modeling software packages such as Schrödinger, MOE, or Openeye (preferred).
Experience with modern software development practices including Git/GitHub, Docker, and cloud computing environments like AWS or Google Cloud (preferred).
Machine Learning
Deep Learning
Python
Cheminformatics
Generative AI
Molecular Generation
Retrosynthetic Analysis
Pose Prediction
Computational Chemistry
Drug Discovery
Chemical Engineering