EEG-DTI

EEG-DTI predicts drug-target interactions using end-to-end heterogeneous graph representation learning to generate low-dimensional feature representations for drugs and targets.


Key Features:

  • End-to-End Learning Framework: Integrates end-to-end heterogeneous graph representation learning with graph convolutional networks to predict drug-target interactions.
  • Heterogeneous Graph Convolutional Networks (GCNs): Employs GCNs to model complex networks comprising drugs, proteins, diseases, and side effects.
  • Low-Dimensional Feature Representation: Learns compact embeddings for drugs and targets to enable efficient large-scale DTI prediction.
  • Comprehensive Heterogeneous Network: Utilizes a network of multiple biological entity types and their interactions to capture cross-entity dependencies.

Scientific Applications:

  • Drug Discovery Prioritization: Predicts potential DTIs to prioritize candidate compounds for experimental validation in early-stage drug development.

Methodology:

Constructs a heterogeneous network with nodes representing entities (e.g., drugs, proteins) and edges representing interactions, applies graph convolutional networks to learn feature representations in an end-to-end manner, and uses the learned features to predict drug-target interactions.

Topics

Details

Tool Type:
command-line tool
Programming Languages:
Python
Added:
3/19/2021
Last Updated:
5/5/2021

Operations

Publications

Peng J, Wang Y, Guan J, Li J, Han R, Hao J, Wei Z, Shang X. An end-to-end heterogeneous graph representation learning-based framework for drug–target interaction prediction. Briefings in Bioinformatics. 2021;22(5). doi:10.1093/bib/bbaa430. PMID:33517357.

PMID: 33517357
Funding: - National Natural Science Foundation of China: 61772426, 62072376, U1811262 - International Postdoctoral Fellowship Program: 20180029 - China Postdoctoral Science Foundation: 2017M610651

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