Principal Research Scientist - AI/ML in Drug Discovery

Placements24; Kimberley; Hybrid; CAD 255,000 - 340,000; Full time

Benefits offered by this job

Remote‑first environment

Flexible hours

Professional development opportunities

Equity potential

Job summary

Placements24 is seeking a Principal Research Scientist to spearhead AI/ML efforts in drug discovery from a remote setting. You will lead development of models for target identification, hit finding, and molecule design, working with biologists, chemists and computational scientists across global teams.

You will guide scalable ML workflows, ensure data integrity, and mentor junior researchers while driving the strategic roadmap for AI/ML in preclinical research.

Qualifications

• Ph.D. in Computer Science, AI, ML, Computational Chemistry, Bioinformatics or related quantitative field with drug discovery focus.
• 8+ years of progressive research experience applying AI/ML to pharma R&D.
• Proven track record in developing/deploying ML models (DL, GNNs, RL, Bayesian methods).
• Strong coding skills in Python and ML libraries; data manipulation and analysis expertise.

Responsibilities

• Lead R&D of AI/ML models for drug discovery including target identification and lead optimization.
• Analyze large-scale biological/chemical datasets to drive hypothesis generation.
• Design ML workflows for virtual screening, ADMET prediction, and de novo design.
• Collaborate with chemists, biologists, pharmacologists, and computational scientists to translate AI into outcomes.

Skills

Python

TensorFlow

PyTorch

scikit-learn

RDKit

Graph neural networks

Reinforcement learning

Bayesian methods

Cloud computing

Education

Ph.D. in CS/AI/related field

Tools

RDKit

AWS/GCP/Azure

Job description

About the Role

Our client is a visionary pharmaceutical company dedicated to accelerating drug discovery through advanced technological solutions. We are seeking an exceptional Principal Research Scientist with a profound expertise in Artificial Intelligence and Machine Learning to lead transformative research initiatives. This is a fully remote position, offering the flexibility to work from anywhere, with a focus on revolutionizing how new medicines are discovered and developed. You will spearhead the application of cutting-edge AI/ML techniques to vast biological and chemical datasets, identifying novel drug targets, designing innovative molecules, and optimizing preclinical candidates. The ideal candidate possesses a deep understanding of both machine learning paradigms and drug discovery principles, coupled with strong leadership and communication skills. This role represents a unique opportunity to make a significant impact on human health from a remote setting.

Key Responsibilities

• Lead the research and development of novel AI/ML models and algorithms for drug discovery applications, including target identification, hit finding, lead optimization, and preclinical development.
• Analyze and interpret large-scale biological, chemical, and clinical datasets to extract meaningful insights and drive hypothesis generation.
• Design and implement sophisticated machine learning workflows for virtual screening, property prediction (ADMET, efficacy), and de novo molecular design.
• Collaborate closely with medicinal chemists, biologists, pharmacologists, and computational scientists to define research objectives and translate AI/ML capabilities into tangible research outcomes.
• Stay at the forefront of AI/ML advancements and identify opportunities to apply emerging techniques to drug discovery challenges.
• Communicate complex scientific concepts and research findings effectively to diverse audiences, including senior management, R&D teams, and external collaborators.
• Mentor and guide junior scientists and research associates, fostering a culture of innovation and scientific rigor.
• Contribute to the strategic vision and roadmap for AI/ML in drug discovery within the organization.
• Ensure the highest standards of data integrity, reproducibility, and scientific ethics in all research activities.

Requirements

• Ph.D. in Computer Science, Artificial Intelligence, Machine Learning, Computational Chemistry, Bioinformatics, or a related quantitative field with a strong focus on drug discovery applications.
• A minimum of 8 years of progressive research experience in applying AI/ML to pharmaceutical R&D.
• Demonstrated expertise in developing and deploying various machine learning models (e.g., deep learning, graph neural networks, reinforcement learning, Bayesian methods).
• Proficiency in programming languages like Python (with libraries such as TensorFlow, PyTorch, scikit-learn, RDKit) and experience with data manipulation and analysis tools.
• Strong understanding of drug discovery processes, medicinal chemistry, and biological pathways.
• Proven track record of impactful research, evidenced by high-quality publications and conference presentations.
• Exceptional problem-solving skills and the ability to think creatively and innovatively.
• Outstanding communication, interpersonal, and leadership skills.
• Experience with cloud computing platforms (e.g., AWS, Azure, GCP) and big data technologies is highly desirable.

Benefits

• Highly competitive salary and a comprehensive benefits package tailored for remote employees.
• Significant opportunity to influence the future of drug discovery and impact global health.
• Access to cutting-edge computational resources and vast scientific datasets.
• Generous professional development opportunities, including conferences, workshops, and online courses.
• Flexible working hours and a remote-first work environment.
• Collaborative and intellectually stimulating culture with leading experts in the field.
• Performance-based bonuses and potential for equity.