A Random Walk with Restart Model Based on Common Neighbors for Predicting the Clinical Drug Combinations on Coronary...

As the approaching of the clinical big data era, the prediction of whether drugs can be used in combination in clinical practice is a fundamental problem in the analysis of medical data. Compared with high-throughput screening, it is more cost-effective to treat this problem as a link prediction problem and predict by algorithms. Inspired by the rule of combined clinical medication, a new computational model is proposed. The drug-drug combination was predicted by combining the number of adjacent complete subgraphs shared by the two points with the restart random walk algorithm. The model is based on the semisupervised random walk algorithm, and the same neighborhood is used to improve the random walk with restart (CN-RWR). The algorithm can effectively improve the prediction performance and assign a score to any combination of drugs. To fairly compare the predictive performance of the improved model with that of the random walk with restart model (RWR), a cross-validation of the two models on the same drug data was performed. The AUROC of CN-RWR and RWR under the LOOCV validation framework is 0.9741 and 0.9586, respectively, and the improved model results are more reliable. In addition, the top 3 predictive drug combinations have been approved by the public. The new model is expected that this model can be extended to predict the use of combination drugs for other diseases to find combinations of drugs with potential clinical benefits.