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Senior Cheminformatics Scientist Jobs (NOW HIRING)

1910

AI Research Scientist II

Boston, MA

Write and publish peer reviewed scientific articleswith minimal support from senior members of the ... cheminformatics and bioinformatics questions * Keep up-to-date on cutting-edge research in the AI ...

1910

AI Research Scientist I

Boston, MA

Write and publish peer reviewed scientific articleswith the support of senior members of the AI ... cheminformatics and bioinformatics questions * Keep up-to-date on cutting-edge research in the AI ...

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How much do senior cheminformatics scientist jobs pay per year?

As of Jun 10, 2026, the average yearly pay for senior cheminformatics scientist in the United States is $110,545.00, according to ZipRecruiter salary data. Most workers in this role earn between $91,500.00 and $125,000.00 per year, depending on experience, location, and employer.

What is a Senior Cheminformatics Scientist?

A Senior Cheminformatics Scientist is an experienced professional who applies computational and data analysis techniques to solve problems in chemistry, particularly in drug discovery and materials science. They work with large sets of chemical data, develop algorithms and models to predict molecular properties, and integrate informatics tools into research workflows. Typically, they collaborate with chemists, biologists, and IT specialists to manage data, design experiments, and optimize compounds for desired properties. Their work is crucial for accelerating scientific discoveries through the use of computational methods.

What is the difference between Senior Cheminformatics Scientist vs Chemoinformatics Analyst?

AspectSenior Cheminformatics ScientistChemoinformatics Analyst
Required CredentialsBachelor's/Master's/PhD in Chemistry, Bioinformatics, or related field; experience with cheminformatics toolsBachelor's/Master's in Chemistry, Bioinformatics, or related; focus on data analysis skills
Work EnvironmentResearch labs, pharmaceutical companies, biotech firmsData analysis teams, pharmaceutical R&D, biotech companies
Industry UsageUsed for drug discovery, compound management, and data interpretationUsed for data processing, chemical property analysis, and reporting

The Senior Cheminformatics Scientist typically has more advanced research responsibilities and leadership in chemical data analysis, while the Chemoinformatics Analyst focuses on data processing and reporting. Both roles require similar educational backgrounds but differ in scope and seniority.

What collaborative opportunities can a Senior Cheminformatics Scientist expect when working with interdisciplinary teams?

As a Senior Cheminformatics Scientist, you'll frequently collaborate with medicinal chemists, biologists, data scientists, and software engineers to drive drug discovery projects. Your expertise bridges the gap between computational analysis and experimental science, often facilitating data-driven decision-making. Expect to participate in cross-functional meetings, contribute insights on molecular modeling, and support the integration of cheminformatics tools into research pipelines. This interdisciplinary environment fosters both scientific innovation and professional growth through continuous learning from diverse team members.

What are the key skills and qualifications needed to thrive as a Senior Cheminformatics Scientist, and why are they important?

To thrive as a Senior Cheminformatics Scientist, you need a strong background in chemistry, data analysis, and computational methods, typically supported by a Ph.D. in chemistry, cheminformatics, or a related field. Expertise in programming languages such as Python or R, cheminformatics software (e.g., RDKit, OpenEye), and experience with chemical databases are essential. Strong problem-solving, collaboration, and communication skills help in translating complex data into actionable scientific insights and working effectively in multidisciplinary teams. These skills and qualifications are critical for driving innovative research, managing large chemical datasets, and supporting drug discovery or materials science projects.
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Senior Cheminformatics Scientist jobs near you
Infographic showing various Senior Cheminformatics Scientist job openings in the United States as of June 2026, with employment types broken down into 1% As Needed, 94% Full Time, and 5% Part Time. Highlights an 87% Physical, 5% Hybrid, and 8% Remote job distribution, with an average salary of $110,545 per year, or $53.1 per hour.

Senior Scientist: Cheminformatics & Computational Chemistry

Globalchannelmanagement

South San Francisco, CA • On-site, Remote

$110K - $150K/yr

Full-time

Posted 28 days ago

Job description

Senior Scientist: Cheminformatics & Computational Chemistry needs 10 years' experience

Senior Scientist: Cheminformatics & Computational Chemistry requires:

Hybrid

PhD or MS in Cheminformatics, Computational Chemistry, Medicinal Chemistry, or related field

Strong understanding of small molecule drug discovery workflows

Demonstrated expertise in: o Substructure and similarity search (fingerprints, graph-based, embedding-based) o Shape and pharmacophore searching o Reaction-based and fragment-based enumeration o Docking and structure-based design o QSAR and ligand-based modeling o Active learning and iterative design strategies o Physics-based simulations (e.g., MD, FEP)

Hands-on experience with tools such as: o RDKit, OpenEye, or equivalent o Docking platforms (e.g., Glide, AutoDock, GOLD)

Strong programming skills in Python Preferred Qualifications

Experience working with ultra-large chemical libraries (e.g., Enamine REAL, WuXi Galaxy)

Familiarity with generative chemistry approaches (SMILES-, graph-, or diffusion-based models) Experience integrating ML models into production workflows

Experience with workflow orchestration tools (e.g., Airflow, Nextflow)

Senior Scientist: Cheminformatics & Computational Chemistry duties:

End-to-End Workflow Development

Design and implement workflows spanning: o Virtual screening (ligand-based and structure-based) o Hit identification and hit expansion o Hit-to-lead selection o Lead optimization Method Development & Application Apply and integrate core computational chemistry and cheminformatics methods, including: o Ultra-large library search:

§ Substructure search

§ Fingerprint and embedding-based similarity search

§ Shape and pharmacophore-based screening o Molecular enumeration: § Reaction-based enumeration § Fragment-based design and expansion o Ligand-based modeling: § QSAR, similarity, clustering, active learning loops o Structure-based modeling: § Docking, rescoring, pose prediction, structure-aware search o Physics-based methods: § Molecular dynamics (MD) § Free energy perturbation (FEP) and related approaches Cross-functional Collaboration

Partner with: o Machine Learning teams to integrate predictive and generative models o Software Engineering teams to productionize workflows and ensure scalability o Scientific stakeholders to align workflows with drug discovery needs