Principal Research Scientist (AI in Drug Discovery)

Placements24; Sandton; Hybrid; ZAR 2,000,000 - 4,800,000; Full time

Benefits offered by this job

Fully remote

Executive salary level

Health insurance

Retirement plan

Professional growth opportunities

Paid time off

Job summary

Placements24 is seeking a Principal Research Scientist to lead AI/ML initiatives in drug discovery, focusing on target identification, hit finding, and lead optimization. The role requires deep expertise in ML, cheminformatics, and collaboration with cross-disciplinary teams.

You will mentor scientists, shape research roadmaps, and drive innovative computational methods across multi‑modal data. The position is fully remote with global collaboration.

Qualifications

• PhD in a quantitative field with research background.
• 7+ years applying AI/ML to pharma/R&D problems.
• Strong publication and collaboration track record.

Responsibilities

• Lead design and deployment of AI/ML models for target ID and lead optimization.
• Collaborate with medicinal chemists and software engineers to integrate AI into R&D workflow.
• Mentor junior scientists and shape the AI research roadmap.
• Publish high-impact papers and contribute to IP creation.
• Evaluate new data sources and computational tools for research.

Skills

AI/ML for drug discovery

Team leadership

Python

R

Deep learning

Data science

Omics data

Education

PhD in Computer Science/ML/Computational Chemistry/Bioinformatics/Physics

Tools

TensorFlow

PyTorch

Scikit-learn

AWS

GCP

Azure

RDKit

Job description

About the Role

Our client, a trailblazer in applying Artificial Intelligence and Machine Learning to revolutionize drug discovery, is actively seeking a highly accomplished Principal Research Scientist . This role is at the forefront of innovation, requiring a deep understanding of both AI/ML principles and the complexities of the pharmaceutical R&D pipeline. The successful candidate will lead initiatives to develop and deploy advanced computational models for target identification, lead optimization, and predictive toxicology. This is a fully remote position, offering unparalleled flexibility and the opportunity to collaborate with a globally distributed team of world-class scientists and engineers. Our client is committed to pushing the boundaries of what's possible in drug discovery and offers a stimulating environment for individuals passionate about making a profound impact on human health through technology. This position is associated with our strategic presence in Sandton, Gauteng .

Key Responsibilities

Lead the design, development, and implementation of AI/ML models for various stages of the drug discovery process, including target identification, hit finding, lead optimization, and ADMET prediction. Develop novel algorithms and approaches to address complex biological and chemical challenges using data science techniques. Collaborate closely with medicinal chemists, biologists, computational chemists, and software engineers to integrate AI/ML solutions into the R&D workflow. Analyze and interpret large, multi-modal datasets (e.g., omics, chemical, clinical data) to generate actionable insights. Stay abreast of the latest advancements in AI/ML, cheminformatics, bioinformatics, and their applications in drug discovery. Author high-impact publications, present research at leading scientific conferences, and contribute to intellectual property generation (patents). Mentor junior scientists and contribute to building a strong AI/ML research capability within the organization. Define research roadmaps and strategic objectives for AI in drug discovery initiatives. Ensure reproducibility and rigor in all computational research and development activities. Evaluate and integrate new data sources and computational tools to enhance research capabilities.

Requirements

Ph.D. in Computer Science, Machine Learning, Computational Chemistry, Bioinformatics, Physics, or a related quantitative field. A minimum of 7 years of experience in applying AI/ML techniques to complex problems, with a significant focus on drug discovery or pharmaceutical R&D. Demonstrated expertise in machine learning algorithms (e.g., deep learning, gradient boosting, Bayesian methods) and statistical modeling. Proficiency in programming languages such as Python or R, and relevant AI/ML libraries (e.g., TensorFlow, PyTorch, Scikit-learn). Experience working with large chemical and biological datasets. Strong understanding of drug discovery principles and relevant biological/chemical concepts. Excellent leadership, communication, and collaboration skills, with the ability to guide research teams. Proven track record of scientific innovation, publications, and presentations. Experience with cloud computing platforms (AWS, GCP, Azure) and big data technologies is a plus. Ability to translate complex scientific problems into tractable computational challenges.

Benefits

• This is a fully remote position offering exceptional work-life integration and flexibility.
• Our client provides a highly competitive executive-level salary and a lucrative bonus structure.
• Comprehensive health, dental, and vision insurance are provided.
• A generous retirement savings plan with significant employer contributions is available.
• Exceptional opportunities for professional growth, including access to cutting-edge technologies, advanced training, and industry-leading conferences.
• Our client fosters a dynamic, innovative, and collaborative remote work culture.
• Generous paid time off, including vacation, sick leave, and holidays.
• Participate in shaping the future of medicine through groundbreaking AI applications.