Property Prediction of Functional Organic Molecular Crystals with Graph Neural Networks.
Dana O'ConnorPaola A. BuitragoPublished in: PEARC (2024)
Keyphrases
- protein function prediction
- neural network
- computational methods
- prediction accuracy
- graph properties
- graph theory
- neural network model
- prediction model
- multi layer perceptron
- interaction networks
- pattern recognition
- neural network ensemble
- graph representation
- protein function
- prediction error
- artificial neural networks to predict
- graph structure
- directed graph
- artificial neural networks
- random walk
- protein structure
- graph matching
- recurrent neural networks
- microarray
- neural networks and support vector machines
- graph mining
- molecular level
- three dimensional
- fuzzy logic
- prediction algorithm
- social networks
- predicting protein
- semi supervised
- predictive model
- biological networks
- fault diagnosis
- self organizing maps
- protein protein interactions
- graph model
- training process
- feed forward