AI Trustworthy Challenges in Drug Discovery

Artificial intelligence (AI), including machine learning (ML) and deep learning (DL), is revolutionizing drug discovery by enabling researchers to analyze massive datasets, predict molecular behavior, and accelerate the development of new drugs. However, integrating AI into this domain presents significant computer science challenges. These challenges center on ensuring the trustworthiness of algorithms, maintaining data integrity, achieving model transparency, and upholding ethical principles. This paper explores the crucial role of AI technologies in improving drug discovery workflows while identifying the key obstacles to guaranteeing the reliability and ethical application of these technologies.