Heterogeneous Molecular Graph Neural Networks for Predicting Molecule Properties.
Zeren ShuiGeorge KarypisPublished in: CoRR (2020)
Keyphrases
- neural network
- pattern recognition
- graph properties
- drug discovery
- graph theoretic
- back propagation
- graph matching
- desirable properties
- graph structure
- artificial neural networks
- directed graph
- graph representation
- three dimensional
- random walk
- multilayer perceptron
- fuzzy logic
- graph mining
- graph model
- activation function
- image segmentation
- real world