Principal Scientist - Computational Drug Discovery

Placements24; Randburg; Hybrid; ZAR 1,800,000 - 3,000,000; Full time

Benefits offered by this job

Executive compensation potential

Health benefits

Flexible schedule

Equity incentives

Professional development budget

Job summary

Placements24 is seeking a Principal Scientist in Computational Drug Discovery to lead remote programs leveraging QSAR, molecular modeling, dock­ing, and ML. You will guide global teams, design large-scale analyses, and mentor junior scientists in a virtual setting.

Requirements include a PhD in a relevant field, 8+ years in pharma/biotech, leadership in computational projects, and strong Python/R with ML libraries.

Qualifications

• PhD in Cheminformatics, Bioinformatics, Computational Chemistry, Computer Science, or related field.
• Minimum of 8 years in computational drug discovery in pharma/biotech.
• Leadership in computational projects advancing drug discovery.
• Proficiency in Python and R; experience with ML libraries.

Responsibilities

• Lead computational drug discovery efforts using QSAR, molecular modeling, docking, and virtual screening.
• Design experiments to analyze large biological and chemical datasets.
• Collaborate with experimental teams in a virtual environment to guide research.
• Develop new algorithms/workflows to improve discovery efficiency.
• Mentor junior scientists and contribute to strategic planning.
• Present findings to management and external scientific audiences.
• Document methods, data, and results; contribute to publications and patents.

Skills

Python

R

RDKit

SciPy

TensorFlow

PyTorch

Education

PhD in Cheminformatics / Bioinformatics / Computational Chemistry / Computer Science

Tools

RDKit

TensorFlow

PyTorch

SciPy

Job description

About the Role

Our client, a trailblazing pharmaceutical innovator with a commitment to leveraging cutting-edge technology, is seeking a distinguished Principal Scientist in Computational Drug Discovery. This role is fully remote, enabling you to contribute to our client's mission from anywhere. You will lead the application of advanced computational methodologies, including cheminformatics, bioinformatics, and machine learning, to accelerate drug discovery programs. This position requires a deep scientific understanding, exceptional analytical capabilities, and a passion for pushing the boundaries of bioinformatics and drug design. As a remote leader, you will guide strategic computational efforts, collaborate with diverse scientific teams globally, and drive the identification of novel therapeutic targets and drug candidates. Join a forward‑thinking organization that values innovation, scientific rigor, and impactful contributions to global health.

Key Responsibilities

Lead the development and application of computational approaches (e.g., QSAR, molecular modeling, docking, virtual screening, machine learning) for drug discovery and target identification. Design and execute computational experiments to analyze large biological and chemical datasets. Collaborate closely with experimental biologists, chemists, and pharmacologists in a virtual environment to interpret results and guide research directions. Develop novel algorithms and workflows to enhance the efficiency and success rate of drug discovery projects. Mentor and guide junior computational scientists and contribute to the strategic planning of the computational drug discovery group. Stay abreast of the latest advancements in computational chemistry, bioinformatics, machine learning, and relevant therapeutic areas. Present research findings and strategic recommendations to senior management and external scientific audiences. Ensure rigorous documentation of computational methods, datasets, and findings. Contribute to the patenting of novel discoveries and the publication of research in peer‑reviewed journals. Foster a collaborative and innovative remote research environment.

Requirements

Ph.D. in Cheminformatics, Bioinformatics, Computational Chemistry, Computer Science, or a related quantitative field. Minimum of 8 years of experience in computational drug discovery within the pharmaceutical or biotechnology industry. Proven track record of leadership in computational projects that have advanced drug discovery programs. Expertise in multiple computational areas, including molecular modeling, virtual screening, cheminformatics, bioinformatics, and statistical analysis. Strong proficiency in programming languages commonly used in data science (e.g., Python, R) and experience with relevant libraries (e.g., RDKit, SciPy, TensorFlow, PyTorch). Experience with large-scale data analysis and machine learning applications in drug discovery. Excellent understanding of drug discovery processes and biological pathways. Exceptional problem‑solving, analytical, and critical thinking skills. Outstanding written and verbal communication skills, with the ability to explain complex computational concepts to non‑experts in a remote setting. Demonstrated ability to work independently and lead collaborative efforts effectively. Experience with cloud computing platforms and HCP is advantageous.

Benefits

This fully remote position offers a highly competitive executive‑level compensation package, including a substantial base salary, significant bonus potential, and long‑term equity incentives. Our client provides comprehensive health benefits tailored for remote employees, including premium medical, dental, and vision insurance. A flexible work schedule and generous paid time off are standard. The company offers a generous budget for professional development, including online courses, virtual conferences, and opportunities to attend key scientific meetings. Employees benefit from a robust retirement savings plan with substantial employer matching. This role provides the autonomy and resources to drive significant advancements in drug discovery from the comfort of your home office.