TranGRU: focusing on both the local and global information of molecules for molecular property prediction.
Jing JiangRuisheng ZhangJun MaYunwu LiuEnjie YangShikang DuZhili ZhaoYongna YuanPublished in: Appl. Intell. (2023)
Keyphrases
- global information
- prediction accuracy
- molecular structure
- molecular structures
- contextual information
- structural information
- drug design
- prior information
- molecular interactions
- global knowledge
- prediction error
- globally consistent
- virtual screening
- global context
- machine learning
- ligand docking
- chemical reactions
- prediction algorithm
- prediction model
- three dimensional
- chemical compounds
- predictive model