Research on Medical Package Recommendation Systems: Heterogeneous Graph Neural Network Based on Dual-Level Interaction Awareness With the widespread application of electronic health records (EHRs) in the medical field, how to mine potential and valuable medical knowledge to support clinical decision-making has become an important research direction...

From early drug discovery researchers face a daunting challenge – to find drug-like candidate molecules among approximately 10^60 possible molecular structures. One successful solution is to start from smaller “fragment” molecules, a strategy known as fragment-based drug design (FBDD). In the FBDD process, the first step is to computationally scree...