Graph Neural Networks for the Prediction of Substrate-Specific Organic Reaction Conditions.
Serim RyouMichael R. MaserAlexander Y. CuiTravis J. DeLanoYisong YueSarah E. ReismanPublished in: CoRR (2020)
Keyphrases
- neural network
- pattern recognition
- domain specific
- prediction model
- sufficient conditions
- prediction accuracy
- graph structure
- back propagation
- structured data
- artificial neural networks to predict
- recurrent neural networks
- neural network model
- shortest path
- neural nets
- bipartite graph
- graph theory
- fuzzy logic
- fuzzy systems
- protein interaction
- protein function prediction
- neural network ensemble
- artificial neural networks