MolCAP: Molecular Chemical reActivity pretraining and prompted-finetuning enhanced molecular representation learning.
Yu WangJingjie ZhangJunru JinLeyi WeiPublished in: CoRR (2023)
Keyphrases
- knowledge acquisition
- learning process
- three dimensional
- reinforcement learning
- drug discovery
- learning problems
- learning systems
- machine learning
- learning algorithm
- prior knowledge
- active learning
- incremental learning
- learning tasks
- molecular structures
- data sets
- multiple representations
- unsupervised learning
- online learning
- supervised learning
- semi supervised
- decision trees