Research on Network Construction and Application of Novel Drug Repositioning Strategies Background During the COVID-19 pandemic, researchers and pharmaceutical companies have been dedicated to developing treatments and vaccines. Drug repositioning, due to its shortcut, is considered a rapid and effective response strategy. Drug repositioning attemp...

Research on Drug-Disease Association Prediction Using Graph Contrastive Learning Based on Layered Negative Sampling The prediction of drug-disease associations (RDAs) plays a critical role in unveiling disease treatment strategies and promoting drug repurposing. However, existing methods mainly rely on limited domain-specific knowledge when predict...

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...