Principal Research Scientist - AI​/ML in Drug Discovery

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.

• 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.

• 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 Tensor Flow, 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.

• 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.