Improving Drug-Target Interaction Predictions Through an Explainable Graph Transformer Model

Authors: Baozhong Zhu and Hongjie Wu
Conference: ICAI 2024 Posters, Zhengzhou, China, November 22-25, 2024
Pages: 88-94
Keywords: Drug-target Interaction Prediction.

Abstract

Drug discovery is a complex and time-consuming process. Identifying drug-target interac-tions DTIs is crucial for early-stage drug development. This study introduces a novel mod-el for DTI prediction that leverages protein binding sites and self-attention mechanisms. The model achieves high performance in DTI prediction and provides interpretability by identifying protein regions interacting with ligands.
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