Top-ranked ADR-protein associations derived from models built using the 560×409 docking score matrix.

The docked protein responsible for the association with the ADR is identified in the first, second, and third columns, using the UniProt name and ID and the corresponding PDB ID, respectively. Columns 4,5, and 6 give data on the statistical significance of the association with the p-value of the association, the associated false discovery rate (q-value), and the corresponding beta coefficient in the median AUC logistic regression model. Column 7 is the PubMed results that confirm the drug-protein or drug-side effect. The number of hits is shown in parentheses. Bold UniProt IDs are off-target proteins (i.e. not intended targets of the 732 drugs we consider).Top-ranked ADR-protein associations derived from models built using the 560×409 docking score matrix.