Heterogeneous Network Framework for Predicting Novel Disease–Plant Associations Using Random Walk with Restart (RWR)

It is necessary to understand the complicated interplay between diseases and medicinal plants to find new curing agents that may be used in natural sources. Nevertheless, the state of interaction between diseases and plants today is not fully developed yet, and the potentially productive plant-based treatment can hardly be identified rationally. In order to elaborate on this challenge, we will offer a heterogeneous network approach to the prediction of novel disease–plant associations by using the Random Walk with Restart (RWR) algorithm. The framework combines three significant relational networks, including (i) a disease–plant association network, which has been built using curated literature and biological databases, (ii) a disease–disease similarity net, which is constructed using shared symptoms and therapeutic profiles, and (iii) a plant–plant similarity net using phytochemical and functional similarities. These elements are integrated into a homogeneous graph that is heterogeneous in nature, and thus, information flows through related nodes. The model begins by finding RWR between known disease or plant nodes and develops the network by exploring the graph further to make estimates of the probability of association between disease and plant networks that were not previously connected. Experimental tests show that the proposed model has an excellent predictive ability, ROC-AUC of 0.9987, PR-AUC equal to 0.915, and Precision = 10 of 1.0, significantly better than the results of the base models, including Random- and Degree-based models. The bootstrap analysis supported the strength of the model as the mean ROC-AUC was 0.9987 with a standard deviation of 0.00051. The suggested structure offers an effective computational methodology to systematically explore disease–plant interactions to aid in finding novel herbal drugs to treat diseases and speed up the drug discovery process by means of inference based on networks.