ABSTRACT
Generally, XAI uses a range of strategies and methodologies to make the decision-making processes of AI models transparent and understandable. Among different fields of healthcare, drug discovery is one of the most remarkable fields using XAI perspective. In this sense, this chapter reviews XAI’s applications, techniques, and challenges in drug discovery. It also discusses future directions and opportunities for XAI in this area. Within the framework of the chapter, the importance and benefits of XAI in drug discovery are highlighted, application areas and examples are presented, and XAI techniques and methods, which used in drug discovery, are generally explained. Additionally, the chapter also outlines XAI challenges and solutions in drug discovery with proposals on future directions and opportunities.
