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Senior Cheminformatics 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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Senior Cheminformatics information

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$25K

$80.3K

$163.5K

How much do senior cheminformatics jobs pay per year?

As of Jun 6, 2026, the average yearly pay for senior cheminformatics in the United States is $80,287.00, according to ZipRecruiter salary data. Most workers in this role earn between $41,500.00 and $103,000.00 per year, depending on experience, location, and employer.

What is the difference between Senior Cheminformatics vs Chemoinformatics Specialist?

AspectSenior CheminformaticsChemoinformatics Specialist
Required CredentialsBachelor's or Master's in Chemistry, Bioinformatics, or related field; experience in cheminformatics toolsSimilar credentials; often requires advanced knowledge of cheminformatics software and data analysis
Work EnvironmentPharmaceutical, biotech, or research labs; collaborative teamsResearch institutions, pharma companies; focus on data management and analysis
Employer & Industry UsageUsed in drug discovery, chemical data management, and R&DApplied in chemical data analysis, compound library management, and modeling

Both roles involve chemical data analysis and require similar educational backgrounds. The Senior Cheminformatics role typically involves more leadership responsibilities, while Chemoinformatics Specialists focus on data processing and software application. Both are vital in pharmaceutical and research industries, often overlapping in skills and tools used.

More about Senior Cheminformatics jobs
What cities are hiring for Senior Cheminformatics jobs? Cities with the most Senior Cheminformatics job openings:
What are the most commonly searched types of Cheminformatics jobs? The most popular types of Cheminformatics jobs are:
What states have the most Senior Cheminformatics jobs? States with the most job openings for Senior Cheminformatics jobs include:
What job categories do people searching Senior Cheminformatics jobs look for? The top searched job categories for Senior Cheminformatics jobs are:
Senior Cheminformatics jobs near you
Infographic showing various Senior Cheminformatics job openings in the United States as of May 2026, with employment types broken down into 83% Full Time, and 17% Part Time. Highlights an 66% In-person, 17% Hybrid, and 17% Remote job distribution, with an average salary of $80,287 per year, or $38.6 per hour.

Senior Scientist: Cheminformatics & Computational Chemistry

Globalchannelmanagement

South San Francisco, CA • On-site, Remote

$110K - $150K/yr

Full-time

Posted 23 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