Quantitative evaluation of explainable graph neural networks for molecular property prediction.
Jiahua RaoShuangjia ZhengYutong LuYuedong YangPublished in: Patterns (2022)
Keyphrases
- quantitative evaluation
- neural network
- ground truth
- protein function prediction
- ground truth data
- qualitative evaluation
- artificial neural networks to predict
- prediction accuracy
- pattern recognition
- artificial neural networks
- prediction model
- brain mr images
- neural network ensemble
- back propagation
- graph properties
- graph representation
- drug design
- quality assessment
- weighted graph
- fuzzy logic
- error measure
- graph structure
- graph theory
- genetic algorithm
- neural networks and support vector machines
- graph theoretic
- neural network model
- global consistency
- databases
- protein structure prediction
- multiresolution
- random walk
- drug discovery
- recurrent neural networks
- image segmentation
- multilayer perceptron
- directed graph
- short term prediction
- medical images