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Qsar Jobs (NOW HIRING)

Senior Computational Chemist

La Jolla, CA · On-site +1

$106K - $176K/yr

Deep understanding of cheminformatics concepts, including molecular representations, similarity methods, QSAR, virtual screening, chemical spaces * Experience analyzing large, complex chemistry ...

Senior Scientist II

Worcester, MA

$91K - $124K/yr

Familiarity with protein homology modeling and using AI/ML approaches in Quantitative Structure-Activity Relationship (QSAR) prediction is preferred. * Strong programming skills (Python and shell ...

Build and apply cheminformatics descriptors and QSAR/QSPR models adapted for chemically modified oligonucleotides, moving beyond sequence-only representations to capture the full chemical diversity ...

Senior Computational Chemist

La Jolla, CA · On-site

$106K - $176K/yr

Deep understanding of cheminformatics concepts, including molecular representations, similarity methods, QSAR, virtual screening, chemical spaces * Experience analyzing large, complex chemistry ...

Deploy and advance methods across the CADD stack - docking, pharmacophore, shape and 3D-similarity, MD, FEP, QSAR modelling - choosing the right blend of physics- and ML-based approaches for each ...

We are not building incremental QSAR tools. We are building foundational infrastructure for predictive toxicology in the age of AI, systems biology, and large-scale computation. About the Role We are ...

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Qsar information

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How much do qsar jobs pay per hour?

As of Jun 29, 2026, the average hourly pay for qsar in the United States is $28.47, according to ZipRecruiter salary data. Most workers in this role earn between $20.19 and $30.77 per hour, depending on experience, location, and employer.

What are QSARs?

QSAR stands for Quantitative Structure-Activity Relationship. It refers to computational models used to predict the biological activity or chemical properties of molecules based on their chemical structure. By analyzing patterns between molecular features and observed outcomes, QSAR models help scientists in drug discovery, toxicology, and environmental chemistry to screen compounds more efficiently. These methods reduce the need for extensive laboratory testing and support decision-making in chemical and pharmaceutical industries.

What are the key skills and qualifications needed to thrive as a QSAR (Quantitative Structure-Activity Relationship) Scientist, and why are they important?

To thrive as a QSAR Scientist, you need strong expertise in cheminformatics, computational chemistry, and statistical modeling, usually supported by an advanced degree in chemistry, bioinformatics, or a related field. Familiarity with tools such as Python, R, molecular modeling software, and QSAR-specific platforms, as well as experience with relevant databases, is typically required. Analytical thinking, attention to detail, and effective communication are essential soft skills for interpreting results and collaborating with multidisciplinary teams. These skills are crucial for developing reliable predictive models that advance drug discovery and chemical safety assessments.

What are some common challenges faced by QSAR (Quantitative Structure-Activity Relationship) scientists when working with large chemical datasets?

QSAR scientists often handle large and complex chemical datasets, which can present challenges such as data quality issues, missing values, and chemical structure inconsistencies. Managing and preprocessing this data to create reliable predictive models requires attention to detail and strong problem-solving skills. Additionally, collaborating with interdisciplinary teams—such as chemists, biologists, and data analysts—is essential to interpret results accurately and develop models that are both robust and relevant to real-world applications.

What is the difference between Qsar vs Chemist?

AspectQsarChemist
Required CredentialsDegree in chemistry, pharmacology, or related field; often requires experience in data analysisDegree in chemistry or related field; may require licensure or certification for certain roles
Work EnvironmentResearch labs, pharmaceutical companies, or biotech firms focusing on data modelingLaboratories, manufacturing plants, or research institutions conducting experiments and analysis
Industry UsagePrimarily in drug discovery, environmental science, and chemical research for predictive modelingInvolved in product development, quality control, and research within chemical and pharmaceutical industries

Qsar specialists focus on developing predictive models using chemical data, often working with computational tools. Chemists perform experimental work, analyze substances, and develop new products. While both roles require chemistry knowledge, Qsar roles emphasize data analysis and modeling, whereas chemists focus on hands-on experimentation and synthesis.

What are the most commonly searched types of Qsar jobs? The most popular types of Qsar jobs are:
Infographic showing various Qsar job openings in the United States as of June 2026, with employment types broken down into 100% Full Time. Highlights an 83% Physical, and 17% Remote job distribution, with an average salary of $59,222 per year, or $28.5 per hour.
Principal Scientist, Computational Chemistry

Principal Scientist, Computational Chemistry

Cytokinetics, Inc.

South San Francisco, CA • On-site

$202K - $236K/yr

Full-time

Posted 13 days ago


Key responsibilities

  • Lead computational chemistry efforts in molecular modeling, structure-based drug design, and generative design for drug discovery programs.

  • Develop and implement computational strategies and workflows to enhance compound design and enable data-driven decision-making.

  • Provide hands-on computational chemistry guidance and support for drug discovery projects and collaborate closely with Research departments.


Job description

Cytokineticsis a specialty cardiovascular biopharmaceutical company, building on its over 25 years of pioneering scientific innovations in muscle biology, and advancing a pipeline of potential new medicines for patients suffering from diseases of cardiac muscle dysfunction.

At Cytokinetics, each team member plays an integral part in advancing our mission to improve the lives of patients. We are seeking tenacious, compassionate, and collaborative individuals who are driven to make a positive impact.

We are seeking a candidate with the primary responsibility to lead the computational chemistry efforts and help drive the Research portfolio. Reporting to Head of Drug Discovery, you will bring expertise in structure-guided drug design, molecular modeling, molecular dynamics and library design. The candidate will play a key role in advancing discovery programs by serving as an active member of project teams.

Responsibilities include guiding programs from initial target validation stages through to candidate identification, as well as mentoring medicinal chemists to enhance their understanding and application of computational chemistry best practices. As the lead Computational Chemist on our programs, you will utilize your experience in structure-based and ligand-based design and modeling to drive new discovery processes. Leveraging state-of-the-art machine learning technologies such as QSAR modeling, de novo design tools, and reaction prediction algorithms, you will develop robust workflows and processes that enhance compound design capabilities and enable data-driven decision-making.

Emphasis will be placed on utilization of technologies and processes to improve quality of our compounds as they move towards the clinic. This includes enhancing and complementing our hit-to-lead and lead optimization processes utilizing emerging technologies (e.g. active learning).

In this role you will:

  • Lead efforts focused on molecular modeling, structure-based drug design and generative design

  • Advance current drug discovery process by co-developing augmented computational strategy for hit-finding through lead optimization

  • Foster an environment of innovation and entrepreneurship to build, integrate and apply computational tools and workflows

  • Provide hands-on computational chemistry guidance and support for drug discovery projects

  • Guide innovation around small molecule computational design and optimization

  • Collaborate closely with Research departments, especially Medicinal Chemistry, Discovery Biology, and Discovery Technologies as an integral part of our compound design team

  • Establish the Computational Chemistry strategy, including leveraging CROs and collaborators to drive our pipeline efficiently and effectively

  • Champion Cytokinetics' culture of embracing scientific excellence, agility, integrity with a sense of quality and collaboration

Qualifications

  • Ph.D. in Computational Chemistry, or a related discipline with an emphasis on Computational Chemistry

  • 12+ years of experience in the biotech or pharmaceutical industry and demonstrated impact on project progression

  • Capable of providing hands-on computational chemistry and modeling support for drug discovery projects with strong skills leveraging state-of-the-art software and approaches (e.g. MOE, Schrodinger tools, cloud computing, FEP and AlphaFold2)

  • Proven leadership experience in driving teams towards common scientific goals and leading scientific drug discovery-focused activities

  • Strong communication and interpersonal skills and project team experience working collaboratively with scientists and engineers

  • Strong foundational understanding of Medicinal Chemistry and DMPK principles

Additional Experience Highly Desirable:

  • Cheminformatics and fluency with a variety of data analysis tools

  • Programming skills in Python and/or R

  • Utilization of AI technologies towards Computational Chemistry including areas of hit-finding through lead optimization

  • Experience and/or familiarity with utilization of AI technologies to drive drug discovery

  • Big picture thinking with an enthusiasm to drive computational methods forward to help develop novel medicines for patients

#LI-ONSITE

Pay Range:

In the U.S., the hiring pay range for fully qualified candidates is $202,500-$236,250 per year. The base pay actually offered will take into account internal equity and also may vary depending on the candidate's geographic region, job-related knowledge, skills, and experience among other factors.

Our employees come from different backgrounds, and we celebrate those differences. We are looking for the best candidates for our open roles, but do not expect applicants to meet every qualification in order to be considered. If you are excited about what you could accomplish at Cytokinetics and believe you can add value to our team, we would love to hear from you.

Please review ourGeneral Data Protection Regulation (GDPR) policyPRIOR to applying.

Our passion is anchored in robust scientific thinking, grounded in integrity and critical thinking. We keep the patient front and center in all we do - all actions and decisions are in service of the patient and their caregivers. We champion integrity, ethics, doing the right thing, and being our best selves.

Fraud Warning: How to Identify Impersonated Cytokinetics Job Postings and Offers

Recently, there have been fraudulent employment offers being sent to candidates on behalf of Cytokinetics. Please be advised that all legitimate offers from Cytokinetics will come directly from our official email domain (Cytokinetics.com) and will only be made after completing a formal interview process.

Here are some ways to check for authenticity:

  • We do not conduct job interviews through non-standard text messaging applications

  • We will never request personal information such as banking details until after an official offer has been accepted and verified

  • We will never request that you purchase equipment or other items when interviewing or hiring

  • If you are unsure about the authenticity of an offer, or if you receive any suspicious communication, please contact us directly attalentacquisition@cytokinetics.com

Please visit our website at:www.cytokinetics.com

Cytokinetics is an Equal Opportunity Employer