ChiENN: Embracing Molecular Chirality with Graph Neural Networks.
Piotr GainskiMichal KoziarskiJacek TaborMarek SmiejaPublished in: ECML/PKDD (3) (2023)
Keyphrases
- neural network
- graph theory
- back propagation
- graph representation
- directed acyclic graph
- graph matching
- protein function prediction
- weighted graph
- structured data
- genetic algorithm
- pattern recognition
- artificial neural networks
- graph model
- graph based algorithm
- bipartite graph
- recurrent neural networks
- fuzzy logic
- directed graph
- graph structure
- feed forward
- connected components
- activation function
- three dimensional
- graph theoretic
- expert systems
- graph structures
- fuzzy systems
- random walk
- semi supervised