graphLambda: Fusion Graph Neural Networks for Binding Affinity Prediction.
Ghaith MqawassPetr PopovPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- neural network
- prediction model
- neural network ensemble
- prediction accuracy
- artificial neural networks to predict
- neural networks and support vector machines
- graph theory
- artificial neural networks
- graph theoretic
- graph representation
- multi layer perceptron
- genetic algorithm
- graph model
- connected components
- random walk
- fuzzy logic
- back propagation
- structured data
- graph partitioning
- pattern recognition
- multi sensor
- multi layer
- graph structure
- graph databases
- directed graph
- activation function
- neural nets
- predictive model
- short term prediction
- feed forward
- similarity measure
- radial basis function neural network
- fusion method
- training process
- weighted graph
- neural network model