Affinity prediction performance of ccorps for the kinase inhibitors.

For each of the 38 inhibitors in the affinity dataset of Karaman et al. [31], the prediction performance of ccorps, the Jackson et al. [9] method, and the sequence-based method is shown below. The performance of the Jackson et al. [9] method is shown alongside that of ccorps for the subset of inhibitors tested by both methods. Note that for imatinib, two values are provided by Jackson et al. [9] because each value is derived by selecting a different reference structure. While the mean auc values and enrichment scores are close, the standard deviations of the differences between the corresponding columns (0.21, 0.33, and 0.36, respectively) highlight that the two methods have complementary strengths.