AttenGpKa: A Universal Predictor of Solvation Acidity Using Graph Neural Network and Molecular Topology.
Hongle AnXuyang LiuWensheng CaiXueguang ShaoPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- neural network
- artificial neural networks
- modular neural network
- back propagation
- small world
- weighted graph
- graph representation
- graph model
- structured data
- directed graph
- radial basis function
- feed forward
- fully connected
- multi layer perceptron
- graph structure
- graph theory
- bipartite graph
- three dimensional
- neural network model
- connected components
- self organizing maps
- fuzzy neural network
- pattern recognition
- fuzzy logic
- graph theoretic
- network architecture
- directed acyclic graph
- multi layer
- graph matching
- recurrent neural networks
- bp neural network
- training process
- associative memory
- fault diagnosis
- activation function
- shortest path
- topology preserving
- topological information
- neural network is trained