AFSE: towards improving model generalization of deep graph learning of ligand bioactivities targeting GPCR proteins.
Yueming YinHaifeng HuZhen YangFeihu JiangYihe HuangJiansheng WuPublished in: Briefings Bioinform. (2022)
Keyphrases
- graph model
- prior knowledge
- computational model
- learning scheme
- learning phase
- reinforcement learning
- learning process
- probabilistic model
- probability distribution
- mathematical model
- learning models
- graph representation
- dependency graph
- machine learning
- fully connected
- spatial structure
- learning mechanism
- directed graph
- unsupervised learning
- active learning