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Volume 21, Issue 1
  • ISSN: 1573-4099
  • E-ISSN: 1875-6697

Abstract

Background

Osteoporosis (OP) is one of the most common diseases in the elderly population. It is mostly treated with medication, but drug research and development have the disadvantage of taking a long time and having a high cost.

Objective

Therefore, we developed a graph neural network with the help of artificial intelligence to provide new ideas for drug research and development for OP.

Methods

In this study, we built a new osteoporosis graph (called OPGraph) and proposed a deep graph neural network (called DeepTransformer) to predict new drugs for OP. OPGraph is a graph data model established by gathering features and their interrelationships from a vast amount of OP data. DeepTransformer uses GraphTransformer as its foundational network and applies residual connections for deep layering.

Results

The analysis and results showed that DeepTransformer outperformed numerous models on OPGraph, with area under the curve (AUC) and area under the precision-recall curve (AUPR) reaching 0.9916 and 0.9911, respectively. In addition, we conducted an validation experiment on two of the seven predicted compounds (Puerarin and Aucubin), and the results corroborated the predictions of our model.

Conclusion

The model we developed with the help of artificial intelligence can effectively reduce the time and cost of OP drug development and reduce the heavy economic burden brought to patient's family by complications caused by osteoporosis.

© 2025 Bentham Science Publishers
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2023-11-27
2025-01-18

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/content/journals/cad/10.2174/0115734099266731231115065030
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DeepTransformer: Node Classification Research of a Deep Graph Network on an Osteoporosis Graph based on GraphTransformer
Curr. Computeraided Drug Des. 21, 28 (2025); https://doi.org/10.2174/0115734099266731231115065030
/content/journals/cad/10.2174/0115734099266731231115065030
/content/journals/cad/10.2174/0115734099266731231115065030
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  • Article Type:     Research Article
Keyword(s): artificial intelligence; deep graph neural network; drug-target interaction; GraphTransformer; medication; Osteoporosis

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