The Role of Artificial Intelligence in Accelerating Drug Discovery Innovations

Kabiga Chelule Kwemoi

Faculty of Engineering Kampala International University Uganda

ABSTRACT

Drug discovery is a complex, costly, and time-intensive process, often taking over a decade and billions of dollars to identify novel therapeutic compounds. Recent advancements in artificial intelligence (AI) have transformed this domain, enabling more efficient, cost-effective, and innovative approaches. This paper examines the application of AI in various stages of drug discovery, from target identification to compound screening and toxicity prediction. Machine learning and deep learning techniques are highlighted as key contributors to enhancing predictive accuracy, optimizing molecular property modeling, and improving high-throughput screening processes. Despite its transformative potential, challenges such as data quality, regulatory hurdles, and the “black-box” nature of AI models persist. By addressing these limitations, AI-driven drug discovery holds the promise of accelerating the development of life-saving therapies while reducing costs and time-to-market.

Keywords: Artificial Intelligence, Drug Discovery, Machine Learning, Deep Learning, High-Throughput Screening.

CITE AS: Kabiga Chelule Kwemoi (2025). The Role of Artificial Intelligence in Accelerating Drug Discovery Innovations. RESEARCH INVENTION JOURNAL OF SCIENTIFIC AND EXPERIMENTAL SCIENCES 5(1):9-13. https://doi.org/10.59298/RIJSES/2025/519130