Predicting kinase inhibitors using bioactivity matrix derived informer sets
Table 2
(a) ROCAUC, (b) NEF10, and (c) FASR10 in Leave-One-Target-Out Cross Validation on PKIS1.
IBR methods were evaluated on 224 PKIS1 targets using standard VS metrics that reflect active retrieval: ROCAUC and NEF10. FASR10 was also evaluated to reflect the chemical diversity of the actives retrieved. All baseline outcomes are shown in S4 Table along with p-values from pairwise comparisons in S5 Table. *The only non-baseline IBR that fails to demonstrate statistical improvement (p <0.0085) over all baselines is CS when using the ROCAUC metric. Note: a Šidák multiple comparison correction was applied using 6 baselines against each non-baseline IBR, lowering the α threshold from 0.05 to 0.0085.