A novel method for predicting the interaction between Chinese herbal compounds and targets

Hongmei Wang; Geanqi Liu; Ming Xu

doi:10.1117/12.3036892

13 July 2024 A novel method for predicting the interaction between Chinese herbal compounds and targets

Hongmei Wang, Geanqi Liu, Ming Xu

Proceedings Volume 13208, Third International Conference on Biomedical and Intelligent Systems (IC-BIS 2024); 132082Q (2024) https://doi.org/10.1117/12.3036892
Event: 3rd International Conference on Biomedical and Intelligent Systems (IC-BIS 2024), 2024, Nanchang, China

Abstract

The active components and target points of traditional Chinese medicine are highly complex and difficult to ascertain. In recent years, computational methods have become an effective approach for predicting compound-target interactions. However, effective utilization of the topological structural features of the network remains an urgent challenge. Traditional prediction models tend to focus excessively on the relationships between nodes while overlooking the features of the edges. To address these issues, we propose a TCMCPI model to predict the interactions between herbal compounds and target points. First, we transform the CPI network into a line graph by establishing a topological structure of the edges. We then used GCN and CNN to extract features from the compounds and targets. These features are fused together to represent the nodes of the line graph, and GAT is utilized to learn the node features. Finally, we map the node features of the line graph back to the edge features in the CPI network by merging the adjacent edge features into node features. The experimental results demonstrate that TCMCPI outperforms other baseline methods in predicting interactions between herbal compounds and target proteins, and high AUROC and AUPR evaluation metrics attest to its superior predictive performance.

(2024) Published by SPIE. Downloading of the abstract is permitted for personal use only.

Citation Download Citation

Hongmei Wang, Geanqi Liu, and Ming Xu "A novel method for predicting the interaction between Chinese herbal compounds and targets", Proc. SPIE 13208, Third International Conference on Biomedical and Intelligent Systems (IC-BIS 2024), 132082Q (13 July 2024); https://doi.org/10.1117/12.3036892

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