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Application of Artificial Intelligence in Drug-target Interactions Prediction: A Review

Qian Liao,Yu Zhang, Ying Chu, Yi Ding, Zhen Liu, Xianyi Zhao,Yizheng Wang,Jie Wan,Yijie Ding,Prayag Tiwari,Quan Zou,Ke Han

npj Biomedical Innovations(2025)

Harbin University of Commerce

Cited 0|Views7
Abstract
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.
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