MolNet: A Chemically Intuitive Graph Neural Network for Prediction of Molecular Properties.
Yeji KimYoonho JeongJihoo KimEok Kyun LeeWon June KimInsung S. ChoiPublished in: CoRR (2022)
Keyphrases
- neural network
- prediction model
- protein function prediction
- prediction accuracy
- graph properties
- artificial neural networks
- random walk
- graph theory
- back propagation
- connected components
- genetic algorithm
- drug design
- predictive model
- graph representation
- neural network ensemble
- pattern recognition
- dna computing
- elman network
- protein structure prediction
- prediction algorithm
- drug discovery
- graph theoretic
- spanning tree
- network architecture
- prediction error
- directed graph
- self organizing maps