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Pharmacokinetic models are mathematical constructs that represent and predict the time course of drug concentrations in the body, providing meaningful pharmacokinetic parameters. These models are categorized into compartment, physiological, and distributed parameter models.
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Physiological models in pharmacokinetics are instrumental in understanding the distribution and elimination of drugs within the body. These models describe the drug concentration within target organs, influenced by factors such as drug uptake, tissue volume, and blood flow. Drug uptake is governed by the partition coefficient, which signifies the drug concentration ratio in tissue to that in the blood. The blood flow rate to a specific tissue is expressed as Qt, and the rate of change in tissue...
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A Knowledge Graph Approach to Elucidate the Role of Organellar Pathways in Disease via Biomedical Reports
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DAHNGC: A Graph Convolution Model for Drug-Disease Association Prediction by Using Heterogeneous Network.

Jiancheng Zhong1, Pan Cui1, Yihong Zhu1

  • 1School of Information Science and Engineering, Hunan Normal University, Changsha, China.

Journal of Computational Biology : a Journal of Computational Molecular Cell Biology
|September 13, 2023
PubMed
Summary
This summary is machine-generated.

A new model, DAHNGC, improves drug-disease association prediction by integrating features from both homogeneous and heterogeneous networks. This approach enhances drug discovery and repositioning efforts by providing more comprehensive insights.

Keywords:
drug–disease associationgraph convolutional neural networkheterogeneous networks

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Area of Science:

  • Computational biology
  • Bioinformatics
  • Drug discovery

Background:

  • Predicting drug-disease associations is crucial for drug development and repositioning.
  • Existing graph convolution methods primarily use homogeneous network features, neglecting valuable heterogeneous network information.

Purpose of the Study:

  • To propose a novel drug-disease association prediction model, DAHNGC.
  • To enhance prediction accuracy by incorporating attribute information from both homogeneous and heterogeneous networks.

Main Methods:

  • Developed DAHNGC, a graph convolutional neural network model.
  • Implemented DropEdge technique to address oversmoothing in homogeneous networks.
  • Designed an automatic feature extraction method for heterogeneous networks.
  • Utilized bilinear decoding for predicting potential drug-disease pairs.

Main Results:

  • The DAHNGC model demonstrated strong predictive performance for drug-disease associations.
  • The integration of heterogeneous network features significantly improved prediction insights.

Conclusions:

  • DAHNGC offers a more effective approach to predicting drug-disease associations.
  • The model's ability to leverage diverse network information advances drug discovery and repositioning strategies.