icon Collection of Microbe–Drug Interaction Prediction Models

The computational prediction of microbe–drug interactions has rapidly evolved. Below are related methods organized chronologically (newest first), with key technical features and pathways highlighted for each approach.


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2025 Methods

VAE-GANMDA (2025)
Generative Models VAE GAN Manifold Learning

Integrates variational autoencoders and generative adversarial networks for feature extraction and manifold learning in microbe–drug interaction prediction.

GutMDA (2025)
Multi-Networks GCN Gut Microbiota

Chemical structure–based graph convolutional model specifically designed for drug–gut microbiota association prediction.

DHCLHAM (2025)
Hypergraph Contrastive Learning Hierarchical Attention

Dual-hypergraph contrastive model with hierarchical attention capturing higher-order structural relationships.

KGCLMDA (2025)
Knowledge Graph Contrastive Learning

Knowledge graph contrastive learning approach for multi-relational microbe–drug inference with enhanced interpretability.

CLMT (2025)
Graph Transformer Contrastive Learning

Graph Transformer-based contrastive learning model leveraging augmented graph views for improved prediction accuracy.

2024 Methods

SCSMDA (2024)
Structure-Aware Contrastive Learning Self-Paced Negative Sampling

Structure-aware contrastive learning with self-paced negative sampling for robust representation learning.

HKFGCN (2024)
Gaussian Kernel GCN Heterogeneous Information Fusion

Hybrid kernel fusion with GCN to integrate multiple similarity sources and improve generalization performance.

GLNNMDA (2024)
Local+Global GNN Representation Learning

Combines local and global graph neural network embeddings for improved representation learning and prediction accuracy.

GCNATMDA (2024)
GCN Attention Hybrid Model

Graph convolution + attention network hybrid model for microbe–drug association prediction with enhanced performance.

GARFMDA (2024)
Graph Attention Random Forest

Graph attention and random forest hybrid approach for interpretable microbe–drug association prediction.

STNMDA (2024)
Transformer Tensor Decomposition Structure-Aware

Integrates similarity tensor decomposition and network propagation with transformer architecture for enhanced stability.

NGMDA (2024)
GNN Multi-scale Topology Feature Fusion

Proposes a novel model leveraging multi-scale topology and position feature learning combined with relationship-aware graph reasoning to predict drug-related microbes.

2023 Methods

MDSVDNV (2023)
SVD Node2vec Feature Fusion

Integrates singular value decomposition and Node2vec for comprehensive feature extraction and fusion.

MFTLHNMDA (2023)
Matrix Factorization Heterogeneous Network Sparse Learning

Matrix factorization approach with three-layer heterogeneous network for comprehensive association modeling.

NMGMDA (2023)
Matrix Nuclear Norm Graph Attention

Minimizes matrix nuclear norm with graph attention network for potential microbe–drug association prediction.

GACNNMDA (2023)
Graph Attention CNN Hybrid Architecture

Graph attention network + CNN-based classifier for human microbe–drug association prediction.

JDASA-MRD (2023)
Joint Autoencoder Subgraph Augmentation

Joint deep autoencoder with subgraph augmentation for robust representation learning and prediction.

2022 and Earlier Methods

NIRBMMDA (2022)
Neighborhood Inference Boltzmann Machine Probabilistic Model

Neighborhood-based inference and restricted Boltzmann machine for microbe–drug association prediction.

GSAMDA (2022)
Graph Attention Sparse Autoencoder Representation Learning

Graph attention network + sparse autoencoder for potential microbe–drug association prediction.

NNAN (2022)
Nearest Neighbor Attention Network Bipartite Graph

Nearest Neighbor Attention Network leveraging bipartite graph networks and attention mechanisms.

Graph2MDA (2022)
Variational Graph Autoencoder Multi-Modal

Variational graph autoencoder learning latent microbe–drug associations on heterogeneous graphs.

MDASAE (2021)
Stacked Autoencoder Multi-Head Attention

Stacked autoencoder with multi-head attention mechanism for comprehensive feature learning and prediction.

GCNMDA (2020)
GCN Similarity Networks

First GCN model for microbe–drug prediction, integrating similarity networks and graph convolution.

HMDAKATZ (2019)
Network-Based KATZ Measure

Network-based model using KATZ measure for predicting drug–gut microbiota associations.