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Cheminformatics Jobs (NOW HIRING)

Hexion

Applied ML Scientist - Chemistry

Columbus, OH · On-site

Bachelor's degree in Computer Science, Data Science, Computational Chemistry, Cheminformatics, or a related field, with substantial relevant experience in ML modeling experience for chemistry ...

MyGradJob

Postdoctoral

Chapel Hill, NC

$41K - $56K/yr

PhD in Bioinformatics or Cheminformatics Additional Information All your information will be kept confidential according to EEO guidelines.

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How much do cheminformatics jobs pay per hour?

As of Sep 12, 2026, the average hourly pay for cheminformatics in the United States is $56.81, according to ZipRecruiter salary data. Most workers in this role earn between $48.08 and $68.75 per hour, depending on experience, location, and employer.

What is a cheminformatics?

A Cheminformatics job involves using computational techniques, data analysis, and software tools to manage, analyze, and interpret chemical and molecular data. Professionals in this field apply machine learning, molecular modeling, and database management to support drug discovery, materials science, and other chemistry-related research. They often work in pharmaceutical, biotech, or academic settings, collaborating with chemists and data scientists to accelerate scientific discovery.

What does a cheminformatics do?

In a Cheminformatics position, you'll typically work on projects involving the analysis and management of chemical data, such as building and evaluating molecular models, developing algorithms for virtual screening, or optimizing compound libraries for drug discovery. Daily tasks often include programming, data visualization, collaborating with medicinal chemists or biologists, and contributing to research publications or presentations. You may also be responsible for maintaining database integrity and ensuring the quality of datasets used in computational experiments. The work is both collaborative and analytical, offering exposure to cutting-edge technology in chemical and pharmaceutical research environments.

What skills and qualifications are needed for cheminformatics?

To thrive in Cheminformatics, you need a solid background in chemistry, computer science, and data analysis, often supported by a relevant degree in chemistry, bioinformatics, or a related field. Proficiency with cheminformatics software (e.g., RDKit, Open Babel), programming languages like Python or Java, and familiarity with databases such as SQL is highly valued. Strong problem-solving skills, teamwork, and clear scientific communication are essential soft skills for success in this interdisciplinary field. These skills ensure the effective development and application of computational tools to solve complex chemical and pharmaceutical research challenges.

How to get into cheminformatics?

To enter cheminformatics, a background in chemistry, computer science, or bioinformatics is essential, along with skills in programming languages like Python or R and familiarity with chemical data formats. Gaining experience through internships, online courses, or advanced degrees such as a master's or Ph.D. can improve job prospects. Knowledge of cheminformatics tools and databases, such as RDKit or PubChem, is also beneficial.
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Cheminformatics jobs near you
Infographic showing various Cheminformatics job openings in the United States as of September 2026, with employment types broken down into 50% Full Time, and 50% Contract. Highlights an 50% In-person, and 50% Remote job distribution, with an average salary of $118,165 per year, or $56.8 per hour.

Computational Chemistry/Toxicology Scientist

Zionsville, IN • On-site

Vish Consulting Services Inc
Recruiting and Staffing Services • 51 - 200 employees
Learn more about Vish Consulting Services Incexternal

Contractor

Re-posted 19 days ago

Job description

VCS is looking for a computational chemistry/Toxicology Scientist for one of our client

Job Title - Computational Chemistry/Toxicology Scientist

Job Location - Indianapolis, IN 46077

Contract- 12+ Months with possible extension

Shift- Day M-F 40 hrs./week

Pay- 57/Hr.

Description:
The client has an exciting and challenging opportunity in the Predictive Safety Center within Regulatory Science for a Computational Scientist Contractor with expertise in c/Bioinformatics. The individual will partner with a multidisciplinary team to design, develop, and implement machine learning models to predict safety profiles of chemicals to support the discovery, development and registration of novel crop protection products. This position is located in Indianapolis, IN, while strong candidates working remotely will be considered.
Responsibilities:

  • Develop and apply chemistry structure-based predictive models for assessing safety profiles of early-stage discovery molecules
  • Assess potential mechanisms of toxicity by assessing ligand-protein binding affinity using protein structure alignment, binding pocket evaluation, and molecular docking
  • Work collaboratively with internal and external cross-functional multidisciplinary teams, collaborators, and consultants to implement in silico models to meet business needs
  • Serve as a subject matter expert on in silico modelling for the team and other partners in R&D sub-functions
  • Present the development and application of cheminformatics/bioinformatics approaches and novel ML/DL models internally and externally including scientific conferences
  • Keep abreast of the latest scientific development in the areas of machine learning, cheminformatics, bioinformatics, and related fields and identify technologies to be applied internally
  • Analyze complex datasets using machine learning approaches and interpret results to improve data-driven decision-making processes

Qualifications:

  • Ph.D. degree in Cheminformatics, Computational Chemistry, Computational Biology, Bioinformatics, Toxicology, or a related field
  • 3+ years of experience in developing machine learning models and applying cheminformatics/bioinformatics and AI for structure-based drug design, toxicology assessment, mechanism prediction
  • Strong technical background in machine learning, deep learning, and statistical modeling with prior experience in applying these techniques to process, analyze and draw insights from complex datasets involving chemical compound structures and toxicity endpoints
  • Demonstrated programming proficiency in Python and experience in utilizing machine learning libraries
  • Demonstrated in-depth knowledge in toxicology, chemistry, chemical structure, QSAR, protein structure
  • Knowledge in omics analysis and systems biology is a plus
  • Demonstrated teamwork and project leadership skills to manage multiple projects on different timelines for stakeholders across the business
  • Excellent communication and presentation skills to different stakeholder audiences

Thank You!

Bhanendra S Singh
Vish Consulting Services(VCS)
Bhanendra @vishusa.com