The tcbb2014 dataset is collected from DrugBank, KEGG Drug, DCDB and Matador, and contains 315 drugs, 250 targets, 5 similarity categories between drugs and 3 similarity categories between targets. The similarity between drugs includes similarity in chemistry, ligand, expression, side effects and annotation. The similarity between targets includes similarity in sequence, protein-protein interaction network and gene ontology. The original task of this dataset is to predict new interactions between drugs and targets based on different types of similarity in the network.

Citation

@article{fakharei2014network, title={Network-Based Drug-Target Interaction Prediction with Probabilistic Soft Logic}, author={Fakhraei, Shobeir and Huang, Bert and Raschid, Louiqa and Getoor, Lise}, journal={IEEE/ACM Transactions on Computational Biology and Bioinformatics}, year={2014}, }