Predicting Cardiotoxicity of Molecules Using Attention-Based Graph Neural Networks.
Tuan VinhLoc NguyenQuang H. TrinhThanh-Hoang Nguyen-VoBinh P. NguyenPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- neural network
- recurrent neural networks
- neural network model
- graph representation
- random walk
- artificial neural networks
- graph theoretic
- back propagation
- structured data
- directed graph
- pattern recognition
- fuzzy systems
- neural nets
- graph based algorithm
- directed acyclic graph
- weighted graph
- graph construction
- graph theory
- bipartite graph
- visual attention
- self organizing maps
- associative memory
- multilayer perceptron
- graph matching
- graph mining
- graph model
- network architecture
- activation function
- fuzzy logic
- learning algorithm
- genetic algorithm