Ligandformer: A Graph Neural Network for Predicting Compound Property with Robust Interpretation.
Jinjiang GuoQi LiuHan GuoXi LuPublished in: CoRR (2022)
Keyphrases
- neural network
- artificial neural networks
- directed graph
- high level
- graph properties
- auto associative
- graph theoretic
- graph structure
- graph theory
- neural network model
- connected components
- structured data
- random walk
- recurrent neural networks
- weighted graph
- directed acyclic graph
- training algorithm
- graph model
- fuzzy neural network
- back propagation
- pattern recognition
- neural network is trained