Large-Scale Off-Target Identification Using Fast and Accurate Dual Regularized One-Class Collaborative Filtering and Its Application to Drug Repurposing
Fig 4
Performance comparison for REMAP (green), PRW (blue), and NRLMF (orange).
NT3 (3 or more known targets per chemical) datasets used for varying number of ligands (A) and chemical structural similarity (B). Performance measurement explained in the measuring prediction accuracy of REMAP by TPR vs. cutoff rank section. (A) Performance comparison on the datasets with varying number of ligands per protein. For example, the x-axis of L21more means that the proteins of interest have 21 or more known chemicals to bind. (B) Performance comparison on the datasets with the ranges of chemical structural similarity of the tested chemicals to the trained chemicals. For instance, the x-axis of Tc0.5to0.6 means that for the tested chemicals, at least one trained chemical was found such that and no trained chemical was found in greater similarity than 0.6. All TPR values are based on 10-fold cross validation. Error bars represents s.e.m. Asterisks represents statistical significance based one t-test of the 10 TPR values (* for p < 0.05, ** for p < 0.001).