Graph Neural Networks for Molecules.
Yuyang WangZijie LiAmir Barati FarimaniPublished in: CoRR (2022)
Keyphrases
- neural network
- pattern recognition
- graph structure
- neural nets
- artificial neural networks
- graph representation
- connected components
- graph model
- back propagation
- weighted graph
- bipartite graph
- multilayer perceptron
- graph mining
- multi layer
- graph theory
- recurrent neural networks
- random walk
- fuzzy logic
- chemical compounds
- structured data
- activation function
- graph based algorithm
- rule extraction
- dependency graph
- graph databases
- directed acyclic graph
- graph matching
- neural network model
- self organizing maps
- genetic algorithm