A generalized-template-based graph neural network for accurate organic reactivity prediction.
Shuan ChenYousung JungPublished in: Nat. Mac. Intell. (2022)
Keyphrases
- neural network
- prediction model
- prediction accuracy
- back propagation
- directed graph
- graph representation
- structured data
- random walk
- artificial neural networks
- computationally efficient
- high accuracy
- multi layer perceptron
- multilayer perceptron
- pattern recognition
- highly accurate
- high quality
- protein function prediction
- graph structure
- bp neural network
- connected components
- associative memory
- prediction error
- network architecture
- neural network model
- activation function
- feed forward neural networks
- graph based algorithm
- fuzzy logic
- elman network