Principal AI Researcher - Machine Learning for Drug Discovery

Placements24; Pretoria; Hybrid; ZAR 1,500,000 - 3,000,000; Full time

Benefits offered by this job

Competitive salary

Equity stake

Health benefits

Professional development

Conference attendance

Relocation assistance

Remote work flexibility

Job summary

Placements24 in Pretoria is seeking a Principal AI Researcher to lead development of advanced ML models for accelerating drug discovery. You will guide a team of AI scientists, shape research direction, and collaborate with chemists and biologists to translate AI insights into the drug discovery workflow.

The role requires a PhD and 10+ years of AI/ML experience with leadership, communications, and publication excellence.

Qualifications

• PhD in Computer Science, AI, ML, Computational Chemistry, Bioinformatics, or related field.
• 10+ years AI/ML research with drug discovery focus.
• Proven leadership of research teams and strategic direction.
• Expertise in CNNs, RNNs, Transformers, GNNs, RL, and generative models.
• Proficiency in Python and DL frameworks (TensorFlow or PyTorch).
• Strong cheminformatics/bioinformatics knowledge and drug discovery processes.
• Excellent problem-solving, creativity, and publication record.
• Outstanding communication to convey complex concepts.

Responsibilities

• Lead R&D of ML algorithms and DL architectures for drug discovery.
• Design data pipelines for omics, chemical structures, and trial data.
• Oversee training, validation, and deployment of AI models for accuracy and scalability.
• Mentor AI researchers and data scientists.
• Collaborate with medicinal chemists, biologists, and pharmacologists to integrate AI insights.
• Stay at AI/ML forefront; publish findings in conferences/journals.
• Contribute to IP strategy and patent filings.
• Drive the strategic AI vision for drug discovery.

Skills

Leadership

AI/ML research

Publication record

Communication

Education

PhD in Computer Science/AI/ML/related field

Tools

Python

TensorFlow

PyTorch

Job description

About the Role

Our client, a trailblazing artificial intelligence company operating at the intersection of technology and healthcare, is seeking a highly accomplished Principal AI Researcher to join their innovative team in Pretoria . This pivotal role will lead the development and application of advanced machine learning models for accelerating drug discovery and development. You will be instrumental in defining the research direction, mentoring a team of talented AI scientists, and pushing the boundaries of what's possible in computational drug design. This is a unique opportunity to shape the future of pharmaceutical research in Pretoria, Gauteng , leveraging cutting-edge AI technologies.

Key Responsibilities

Lead the research and development of novel machine learning algorithms and deep learning architectures tailored for drug discovery applications, including target identification, hit identification, lead optimization, and property prediction. Design and implement robust data pipelines for processing and analyzing diverse biological and chemical datasets (e.g., omics data, chemical structures, clinical trial data). Oversee the training, validation, and deployment of AI models, ensuring their accuracy, scalability, and interpretability. Mentor and guide a team of AI researchers and data scientists, fostering a culture of innovation and scientific excellence. Collaborate closely with medicinal chemists, biologists, and pharmacologists to integrate AI insights into the drug discovery workflow. Stay at the forefront of AI and machine learning advancements, identifying new opportunities and methodologies relevant to drug discovery. Publish research findings in leading AI and bioinformatics conferences and journals, and present work to both technical and non-technical audiences. Contribute to the company's intellectual property strategy and patent filings. Drive the strategic vision for AI in drug discovery within the organization.

Requirements

Ph.D. in Computer Science, Artificial Intelligence, Machine Learning, Computational Chemistry, Bioinformatics, or a related quantitative field. 10+ years of experience in AI/ML research, with a significant focus on applying these techniques to biological or chemical problems, preferably in drug discovery. Demonstrated leadership experience in guiding research teams and setting strategic research direction. Expertise in various machine learning techniques, including deep learning (e.g., CNNs, RNNs, Transformers), graph neural networks, reinforcement learning, and generative models. Proficiency in programming languages such as Python, and deep learning frameworks like TensorFlow or PyTorch. Strong understanding of cheminformatics, bioinformatics, and modern drug discovery processes. Excellent problem-solving skills, creativity, and a strong scientific publication record. Exceptional communication and interpersonal skills, with the ability to effectively articulate complex technical concepts. Experience with cloud computing platforms and large-scale data processing is essential.

Benefits

Our client offers an exceptionally competitive salary, a significant equity stake in the company, comprehensive health and wellness benefits, and generous support for professional development and conference attendance. You will be part of a dynamic, fast-paced, and mission-driven team in Pretoria , working on challenges that have the potential to transform medicine. Enjoy a flexible work environment with opportunities for remote work and collaboration with leading experts worldwide. We offer relocation assistance for candidates moving to Gauteng .