Predicting Drug-Disease Treatment Associations Based on Topological Similarity and Singular Value Decomposition

Abstract

To assist drug development, many computational methods have been proposed to identify potential drug-disease treatment associations before wet experiments. Based on the assumption that similar drugs may treat similar diseases, most methods need the similarities of drugs and diseases, and they will not work if the biological or chemical features for computing similarities are missing. Besides, being lack of validated negative samples in the drug-disease associations data, most methods simply select some unlabeled samples as negative ones, which may introduce noises. Herein, we propose a new method (TS-SVD) which only uses those known drug-protein, disease-protein and drug-disease interactions to predict the potential drug-disease associations. In a constructed drug-protein-disease heterogeneous network, we consider the common neighbors of drugs and diseases to obtain the topological similarity. Then the topological similarity matrix of drugs (diseases) will be used to get the low dimensional embedding representations of drug-disease pairs. Finally, a Random Forest classifier is trained to do the prediction. To train a more reasonable model, we select out some reliable negative samples based on the k-step neighbors relationships between drugs and diseases. Compared with some state-of-the-art methods, we use less information but achieve better or comparable performance. Meanwhile, our strategy for selecting reliable negative samples can improve the performances of these methods.