Uncertainty quantification in molecular property prediction through spherical mixture density networks.
Wentao FanLidan ZengTian WangPublished in: Eng. Appl. Artif. Intell. (2023)
Keyphrases
- prediction accuracy
- three dimensional
- prediction algorithm
- arbitrary shape
- prediction model
- drug design
- prediction error
- network analysis
- probability measure
- mixture model
- network structure
- interaction networks
- social networks
- dna computing
- neural network ensemble
- network model
- unit sphere
- protein structure prediction
- biological networks
- probability distribution
- clustering algorithm