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Computer Aided Drug Discovery Jobs (NOW HIRING)

Novartis

Computational Medicinal Chemist

San Diego, CA

$138K - $257K/yr

Summary Join our vibrant and innovative Computer-Aided Drug Discovery (CADD) team in California, where we bring together diverse talents to redefine the way Biomedical Research discovery teams ...

True Environmental

CAD Specialist

New York, NY

$25/hr

MWNE.com and True-Environmental.com to discover the full scope of our capabilities. We are seeking ... This role will require the successful completion of fit for work testing which includes Drug ...

True Environmental

CAD Specialist

New York, NY · On-site

$25/hr

MWNE.com and True-Environmental.com to discover the full scope of our capabilities. We are seeking ... This role will require the successful completion of fit for work testing which includes Drug ...

True Environmental

CAD Specialist

New York, NY

$25/hr

MWNE.com and True-Environmental.com to discover the full scope of our capabilities. We are seeking ... This role will require the successful completion of fit for work testing which includes Drug ...

True Environmental

CAD Specialist

New York, NY · On-site

$25/hr

MWNE.com and True-Environmental.com to discover the full scope of our capabilities. We are seeking ... This role will require the successful completion of fit for work testing which includes Drug ...

True Environmental

CAD Specialist

New York, NY

$25/hr

MWNE.com and True-Environmental.com to discover the full scope of our capabilities. We are seeking ... This role will require the successful completion of fit for work testing which includes Drug ...

True Environmental

CAD Specialist

New York, NY · On-site

$25/hr

MWNE.com and True-Environmental.com to discover the full scope of our capabilities. We are seeking ... This role will require the successful completion of fit for work testing which includes Drug ...

Merck & Co.

Artificial Intelligence (AI), Cheminformatics, Chemistry, Cloud Computing, Computational Chemistry, Computer Aided Drug Design, Data Modeling, Data Science, Drug Discovery Process, Machine Learning ...

Merck & Co.

Artificial Intelligence (AI), Cheminformatics, Chemistry, Cloud Computing, Computational Chemistry, Computer Aided Drug Design, Data Modeling, Data Science, Drug Discovery Process, Machine Learning ...

AP Recruiters

CAD Technician

Juno Beach, FL · On-site +1

CAD Technician About the Role Our client is seeking an experienced CAD Technician Level 2 to join ... Valid driver's license with no alcohol- or drug-related driving offenses within the previous five ...

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How much do computer aided drug discovery jobs pay per hour?

As of Aug 24, 2026, the average hourly pay for computer aided drug discovery in the United States is $20.85, according to ZipRecruiter salary data. Most workers in this role earn between $17.55 and $23.32 per hour, depending on experience, location, and employer.

What is computer aided drug discovery?

Computer Aided Drug Discovery (CADD) is a process that uses computational methods and software tools to identify and design potential new drugs more efficiently. It involves simulating how molecules interact, predicting their effectiveness, and optimizing chemical structures before laboratory testing. CADD helps speed up the drug discovery process, reduce costs, and improve the accuracy of finding promising drug candidates. Researchers use techniques like molecular docking, virtual screening, and quantitative structure-activity relationship (QSAR) modeling in CADD.

What are the key skills and qualifications needed to thrive in computer aided drug discovery?

To thrive in Computer Aided Drug Discovery, you need a strong background in computational chemistry, molecular modeling, and bioinformatics, typically supported by an advanced degree in chemistry, biology, or a related field. Proficiency in software tools such as Schrödinger, MOE, AutoDock, and experience with programming languages like Python or R are highly valuable. Critical thinking, problem-solving, and effective teamwork are essential soft skills for interpreting data and collaborating across disciplines. These abilities are crucial for accelerating drug discovery processes, ensuring accurate results, and driving innovation in pharmaceutical research.

What are the main challenges faced by professionals in computer aided drug discovery and how can they be addressed?

One of the primary challenges in CADD is the integration and interpretation of large, complex datasets from various biological and chemical sources. Professionals often need to stay updated on the latest computational tools and algorithms to ensure accurate predictions. Close collaboration with experimental chemists and biologists is crucial to validate in silico results and refine models. Overcoming these challenges requires strong interdisciplinary communication skills, continuous learning, and adaptability to emerging technologies.

What is the difference between Computer Aided Drug Discovery vs Computational Chemist?

AspectComputer Aided Drug DiscoveryComputational Chemist
CredentialsDegree in pharmacy, chemistry, or related fields; knowledge of drug developmentDegree in chemistry, chemical engineering, or related fields; strong background in chemistry and modeling
Work EnvironmentPharmaceutical companies, biotech firms, research labsResearch institutions, pharmaceutical companies, academia
Industry UsageFocuses on the drug discovery process using computational toolsDevelops and applies computational models to understand chemical properties

Computer Aided Drug Discovery involves using computational tools to identify potential drug candidates, focusing on the entire drug development process. Computational Chemists develop models and simulations to understand chemical behaviors. While both roles require similar backgrounds, Computer Aided Drug Discovery emphasizes application in drug development, whereas Computational Chemists focus on chemical modeling and analysis.

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Computer Aided Drug Discovery jobs near you
Infographic showing various Computer Aided Drug Discovery job openings in the United States as of August 2026, with employment types broken down into 1% As Needed, 84% Full Time, 12% Part Time, 2% Contract, and 1% Nights. Highlights an 75% Physical, 2% Hybrid, and 23% Remote job distribution, with an average salary of $43,372 per year, or $20.9 per hour.

Consultant Scientist, Computer Aided Drug Design (CADD)

Psivant Therapeutics, Inc.

Watertown, MA • On-site

$150K - $185K/yr

Contractor

Posted 20 days ago

Job description

PsiThera is seeking a consultant computational medicinal chemist with expertise in drug discovery, molecular simulations and AI/ML to join our dynamic, multidisciplinary team.  Our science, our team, and our mission are focused on applying advanced computational technologies to progress a pipeline of innovative medicines for patients.  We are looking for a self-motivated individual who thrives in a fast-paced, highly collaborative environment that integrates computational and wet lab capabilities to drive our programs to the clinic.  The ideal candidate will utilize advanced computational strategies across all stages of drug discovery, including hit identification, hit-to-lead and lead optimization.  In addition, a successful candidate will have a demonstrable pharma/biotech industry record using computational methods to advance drug discovery projects, analyze simulation and AI/ML results, derive actionable hypotheses and effectively communicate findings to the team.  This individual will report to the Senior Director of CADD and collaborate closely across functions including experimental medicinal chemistry, structural biology, and application engineering teams to provide actionable insights and strategic guidance.
Key Responsibilities
  • Design small molecule (and related modality) therapeutics using structural/simulation/ML/assay data, ensuring alignment with the requirements and timelines of our drug discovery projects, and leading computational analysis and design activities on cross-functional projects.
  • Integrate knowledge of relevant computational tools and approaches, as well as key aspects of medicinal chemistry and compound property optimization, for all project stages from target selection and druggability analysis to clinical candidate nomination.
  • Collaborate with the computational development team to align priorities between platform application development and R&D projects.
  • Develop modifications and drive improvements in internal applications, building on our internal physics-based simulation capabilities and assessment of fidelity and accuracy of calculations.
  • Train and mentor team members across the organization to build understanding of modeling and AI/ML concepts and how they address project team needs.
Requirements
  • PhD in computational chemistry, organic or physical chemistry, physics, or a closely related field
  • Minimum of 5 years computer-aided drug design (CADD) or related biotech/pharma experience, with expertise accelerating small molecule drug discovery projects from target tractability and hit identification, through lead optimization (demonstrated by peer reviewed publications and inventorship status on patent applications)
  • Demonstrated experience and understanding of physics-based, AI/ML, and generative computational approaches to drug discovery
  • Excellent communication and collaboration skills, with the ability to work well in a multidisciplinary environment
  • Excellent organizational skills and attention to detail, with a strong passion for learning new concepts and technologies
Additional Qualifications
  • Proficiency in scientific programming (e.g. Python, R, C++)
  • Proficiency in molecular simulation packages (e.g. AMBER, OpenMM, NAMD, Gromacs)
  • Proficiency in data science and machine learning tools (e.g. scikit-learn, pytorch)
  • Experience mentoring interns, co-ops, and junior scientists
$150,000 - $185,000 a year
About PsiThera
PsiThera is creating better therapeutics through an integrated molecular design paradigm that leverages best-in-class physics-based and AI technologies honed through decades of research and innovation.  Our focus is first-in-class inflammation and immunology (I&I) small molecule therapeutics. We have assembled a diverse team with extensive experience across disciplines ranging from physics and computer science to chemistry, biology, biochemistry, and structural biology.  This continuum of complementary skills drives our scientific vision to deliver meaningful therapeutics to patients in need.  We are patient-inspired, perseverant, synergistic, supportive, intrepid, and inclusive.  If you're passionate about advancing medicine in a fast-paced, innovative environment, and eager to contribute to a team that blends advanced computation with drug discovery, Psivant might be the perfect fit for you.
 
At PsiThera, we are a lean, high-performing team dedicated to pushing boundaries and achieving growth-both personally and scientifically.  We seek individuals who are smart, collaborative, and thrive in a dynamic, early-stage biotech environment.
 
Read More About Us
       Our Story:            Company - PsiThera
       Team:                    Team and Leadership - Company - PsiThera
 
PsiThera is proud to be an Equal Opportunity Employer, committed to fostering an inclusive and diverse workplace. We comply with all applicable laws and regulations, ensuring that all qualified applicants receive consideration for employment without regard to race, color, religion, gender, sexual orientation, gender identity or expression, national origin, age, disability, veteran status, genetic information, or any other legally protected status.
 
Please note that we do not accept unsolicited resumes and kindly request that recruiters do not contact our team regarding this job posting. If a resume is submitted without a prior agreement, we will not be obligated to pay any referral or placement fees. Thank you for your understanding!
 
We may use artificial intelligence (AI) tools to support parts of the hiring process, such as reviewing applications, analyzing resumes, or assessing responses and identifying potential inconsistencies or verification signals in application materials based on available information. These tools assist our recruitment team but do not replace human judgment. Final hiring decisions are ultimately made by humans. If you would like more information about how your data is processed, please contact us.
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