Evaluating uncertainty-based active learning for accelerating the generalization of molecular property prediction.
Tianzhixi YinGihan PanapitiyaElizabeth D. CodaEmily SaldanhaPublished in: J. Cheminformatics (2023)
Keyphrases
- active learning
- prediction accuracy
- drug design
- learning strategies
- prediction error
- prediction intervals
- prediction algorithm
- three dimensional
- prediction model
- uncertain data
- learning process
- data mining
- semi supervised learning
- fuzzy sets
- random sampling
- semi supervised
- inherent uncertainty
- music emotion classification