Benchmarking Active Learning Protocols for Ligand-Binding Affinity Prediction.
Rohan GorantlaAlzbeta KubincováBenjamin SuutariBenjamin P. CossinsAntonia S. J. S. MeyPublished in: J. Chem. Inf. Model. (2024)
Keyphrases
- active learning
- drug design
- prediction accuracy
- random sampling
- learning strategies
- pairwise
- active learning strategies
- supervised learning
- training examples
- prediction error
- music emotion classification
- learning algorithm
- hiv protease
- prediction model
- transfer learning
- relevance feedback
- semi supervised
- training set