Application of Artificial Intelligence In Drug-target Interactions Prediction: A Review
Qian Liao, Yu Zhang, Ying Chu, Yi Ding, Yi Ding, Zhen Liu, Xianyi Zhao, Jie Wan, Jie Wan, Yijie Ding, Yijie Ding, Prayag Tiwari, Quan Zou, Ke Han · npj Biomedical Innovations. · 2025
Predicting drug-target interactions (DTI) is a complex task. With the introduction of artificial intelligence (AI) methods such as machine learning and deep learning, AI-based DTI prediction can significantly enhance speed, reduce costs, and screen potential drug design options before conducting actual experiments. However, the application of AI methods also faces several challenges that need to be addressed. This article reviews various AI-based approaches and suggests possible future directions.