Trends of Open-Source Tools and Frameworks for AI Drug Design
摘要
Emerging technology, along with various algorithms and artificial intelligence (AI), has accelerated the drug design process. The growing concern of emerging pathogens and their associated complications has created severe health challenges. To address this, research now utilises various tools, databases, and associated resources to streamline the drug discovery process. Conventional drug design methods are time-consuming, costly, and involve multiple stages. In response to the urgent need for safer and faster therapeutic solutions, the field is shifting toward rational, tool-based approaches. To support this transformation, several tools and database servers have been developed to aid and speed up the process. Open-source resources are particularly valuable, as they are not only effective and accessible but also help reduce overall development costs. Moreover, AI has become a key driver in developing more accurate and efficient tools for drug design. Several AI-integrated resources have been developed to support therapeutic design and enhance outcomes. This study discusses the role of open-access tools, databases, and packages, as well as AI-assisted resources in drug design. It provides insights into their applications, accessibility, and relevance in pharmaceutical research. Additionally, the study includes AI-based navigation within the pharmaceutical sector, highlighting how AI contributes to innovation and efficiency. Finally, the advantages and limitations of these resources are discussed to offer a comprehensive understanding of their current stage, implications, and potential in designing novel drugs through AI-driven approaches.