Nucleophilicity Prediction Using Graph Neural Networks.
Wan NieDeguang LiuShuaicheng LiHaizhu YuYao FuPublished in: J. Chem. Inf. Model. (2022)
Keyphrases
- neural network
- prediction accuracy
- pattern recognition
- prediction model
- artificial neural networks to predict
- artificial neural networks
- prediction error
- protein function prediction
- neural network model
- neural networks and support vector machines
- random walk
- multi layer perceptron
- prediction algorithm
- graph representation
- graph model
- directed graph
- structured data
- neural network ensemble
- dependency graph
- undirected graph
- graph structure
- graph matching
- self organizing maps
- fuzzy logic
- genetic algorithm
- elman network
- spanning tree
- weighted graph
- bipartite graph
- radial basis function neural network
- radial basis function network
- radial basis function
- connected components
- short term prediction
- machine learning