MolCAP: Molecular Chemical reActivity Pretraining and prompted-finetuning enhanced molecular representation learning.
Yu WangJingjie ZhangJunru JinLeyi WeiPublished in: Comput. Biol. Medicine (2023)
Keyphrases
- learning algorithm
- learning process
- inductive learning
- prior knowledge
- drug discovery
- training data
- feature hierarchies
- chemical reactions
- learning analytics
- empirical studies
- reinforcement learning
- learning experience
- mobile learning
- image representation
- visual representation
- supervised learning
- chemical reaction
- active learning
- virtual screening