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Cheminformatics Junior Jobs (NOW HIRING)

1910

AI Research Scientist III

Boston, MA

... cheminformatics and bioinformatics questions * Keep up-to-date on cutting-edge research in the AI for drug discovery space * Manage junior AI Research Scientists including having weekly 1:1s, and ...

1910

AI Research Scientist III

Boston, MA · On-site

... cheminformatics and bioinformatics questions • Keep up-to-date on cutting-edge research in the AI for drug discovery space • Manage junior AI Research Scientists including having weekly 1:1s, and ...

1910

AI Research Scientist III

Boston, MA · On-site

... cheminformatics and bioinformatics questions • Keep up-to-date on cutting-edge research in the AI for drug discovery space • Manage junior AI Research Scientists including having weekly 1:1s, and ...

1910

AI Research Scientist III

Boston, MA · On-site

... cheminformatics and bioinformatics questions • Keep up-to-date on cutting-edge research in the AI for drug discovery space • Manage junior AI Research Scientists including having weekly 1:1s, and ...

1910

AI Research Scientist III

Boston, MA · On-site

... cheminformatics and bioinformatics questions * Keep up-to-date on cutting-edge research in the AI for drug discovery space * Manage junior AI Research Scientists including having weekly 1:1s, and ...

1910

AI Research Scientist III

Boston, MA

... cheminformatics and bioinformatics questions * Keep up-to-date on cutting-edge research in the AI for drug discovery space  * Manage junior AI Research Scientists including having weekly 1:1s, and ...

1910

Computational Theoretical Chemist III

Boston, MA

Manage day-to-day operations of the Computational Theoretical Chemistry Team, mentor junior staff ... Familiarity with cheminformatics toolkits such as RDKit for molecular property prediction and data ...

Chemify Ltd

Staff CADD Scientist

San Francisco, CA · On-site +1

Mentor computational chemists and junior CADD scientists; partner with the Head of Advanced Machine ... Strong Python and at least one core cheminformatics toolkit (e.g. RDKit, OpenEye); real experience ...

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$33.5K

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$109.5K

How much do cheminformatics junior jobs pay per year?

As of Jul 26, 2026, the average yearly pay for cheminformatics junior in the United States is $71,799.00, according to ZipRecruiter salary data. Most workers in this role earn between $48,500.00 and $80,000.00 per year, depending on experience, location, and employer.

What are some common challenges a Cheminformatics Junior might face when transitioning from academia to an industry role?

As a Cheminformatics Junior entering industry, you may encounter challenges such as adapting to faster project timelines and balancing multiple assignments simultaneously. Unlike academic settings, industry projects often require you to collaborate closely with multidisciplinary teams, including chemists, data scientists, and IT professionals. You will also need to learn new software tools or databases specific to your company's workflow, and prioritize tasks based on business goals rather than research interests. Embracing teamwork, effective communication, and agile learning will help you succeed in this environment.

What is the difference between Cheminformatics Junior vs Data Analyst?

AspectCheminformatics JuniorData Analyst
Required CredentialsBachelor's in Chemistry, Bioinformatics, or related fieldBachelor's in Statistics, Data Science, or related field
Work EnvironmentResearch labs, pharmaceutical companies, biotech firmsBusiness, finance, healthcare sectors
Employer & Industry UsageUsed in drug discovery, chemical data managementUsed in market analysis, reporting, data visualization

The Cheminformatics Junior role focuses on chemical data and drug discovery, requiring chemistry-related credentials, while Data Analysts handle broader data sets across industries. Both roles involve data management but serve different industry needs and skill sets.

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

To thrive as a Cheminformatics Junior, you need a solid background in chemistry, computer science, and data analysis, typically supported by a relevant degree. Familiarity with cheminformatics software (such as RDKit, Open Babel), programming languages like Python, and experience handling chemical databases are commonly required. Strong analytical thinking, attention to detail, and effective communication are valuable soft skills in this role. These abilities enable accurate data interpretation, support collaborative research, and facilitate the development of computational solutions in chemical informatics.

What is a Cheminformatics Junior?

A Cheminformatics Junior is an entry-level professional who applies information technology and computer science techniques to solve problems in chemistry, particularly in drug discovery, chemical data analysis, and molecular modeling. They assist in managing and analyzing chemical data, developing software tools, and supporting research projects under the guidance of senior cheminformaticians. Their work often involves database management, data visualization, and basic programming, making them a vital part of modern chemical and pharmaceutical research teams.
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What cities are hiring for Cheminformatics Junior jobs? Cities with the most Cheminformatics Junior job openings:
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Cheminformatics Junior jobs near you
Infographic showing various Cheminformatics Junior job openings in the United States as of July 2026, with employment types broken down into 100% Full Time. Highlights an 80% In-person, and 20% Remote job distribution, with an average salary of $71,799 per year, or $34.5 per hour.

Principal Scientist/Sr. Principal Scientist, Computational Chemistry & Molecular Design

Antares Therapeutics

Boston, MA • On-site

$185K - $240K/yr

Full-time

Posted 6 days ago

Job description

Salary Band: $185,000-$240,000
Location: Downtown Boston, MA (In-Office 2-3 days/week)
Position Overview
We are seeking an exceptional computational chemist to serve as a scientific leader in molecular design across our discovery portfolio. As a member of a highly integrated team of medicinal chemists, machine learning scientists, structural biologists, biologists, and chemical biologists, you will apply and advance the full range of modern computational methods - structure- and ligand-based design, molecular dynamics, free energy perturbation (FEP), and machine-learning / generative approaches - to assess and prioritize targets, identify high-quality starting points, and drive lead optimization toward development candidates.
This is a hands-on, high-impact role on the Antares scientific track. The successful candidate will not only enable programs directly but will also help shape the computational chemistry, machine learning and cheminformatics platform that underpins design across Antares. The role is offered at the Principal or Senior Principal Scientist level; scope, independence, and organizational influence scale with experience, as described under Qualifications.
Key Responsibilities
  • Serve as the computational chemistry function lead on programs, providing integrated leadership across target validation, hit identification, hit-to-lead, and lead optimization for multiple small-molecule programs.
  • Apply structure-based and ligand-based design, molecular dynamics, and free energy perturbation (FEP) to prioritize compounds, evaluate druggability, and identify and exploit cryptic or novel binding pockets on challenging targets.
  • Integrate machine-learning, generative, and active-learning approaches into design-make-test-analyze cycles, and multiparameter optimization of potency, selectivity, and ADMET/physicochemical properties.
  • Partner closely with medicinal chemistry to translate computational hypotheses into synthesized, tested molecules, and to drive sound decision-making and smart risk-taking.
  • Lead computational infrastructure and platform development - identifying, evaluating, and deploying best-in-class tools, methods, and workflows - and contribute to major collaborations with external partners, in coordination with the Discovery Predictive Sciences team.
  • Analyze and integrate data across functions to independently identify, define, and address critical scientific issues and key scientific questions.
  • Communicate analyses, models, and recommendations clearly to project teams and leadership, influencing program strategy and portfolio decisions.
  • Represent computational chemistry in cross-functional program teams; help set design strategy and define the questions that computation should answer at each stage.
  • Mentor junior scientists and, at the Senior Principal level, provide broad scientific direction, establish best practices, and act as a recognized technical authority internally and in the external scientific community.

Qualifications
  • PhD. in computational chemistry, biophysics, theoretical chemistry, pharmaceutical sciences, cheminformatics, or a related quantitative field (or equivalent experience).
  • Principal Scientist: PhD with 10+ years (or bachelor's with 16+ years) of computational chemistry experience in a pharmaceutical and/or biotechnology setting. Senior Principal Scientist: PhD with 12+ years (or bachelor's with 18+ years), with a demonstrated track record of independent scientific leadership, cross-functional influence, and organizational impact.
  • Demonstrated, direct contributions to drug discovery programs through the application of computational chemistry - ideally including progression of compounds into or toward the clinic.
  • Deep, hands-on expertise across modern computational methods: structure- and ligand-based design, molecular dynamics, and free energy methods (e.g., FEP).
  • Experience applying machine-learning and/or generative molecular design methods in a discovery setting is strongly preferred.
  • Experience in covalent drug discovery - including covalent docking, warhead selection and reactivity/selectivity assessment, and modeling of covalent kinetics (e.g., kinact/Ki) - is strongly preferred and is central to Antares' programs.
  • Proficiency with the Schrödinger suite and/or comparable platforms (e.g., MOE, OpenEye), and programming/scripting in Python and with coding assistants like Claude Code/Codex for cheminformatics and data analysis.
  • Strong understanding of medicinal chemistry, structural biology, and DMPK principles, and a proven ability to collaborate effectively in a fast-paced, matrixed, team-based environment.
  • Excellent written and verbal communication skills, with the ability to convey complex computational concepts to multidisciplinary audiences.
  • A passionate, results-oriented drug hunter who thrives in a collaborative, data-driven, and scientifically ambitious culture.

The anticipated annual salary range for this position is $185,000-$240,000 annually. The actual salary offered will be based on a number of factors, including but not limited to the qualifications of the applicant, years of relevant experience, level of education attained, certifications or other professional licenses held, and if applicable, the location in which the applicant lives and/or from which they will be performing the job.

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