Predicting kinase inhibitors using bioactivity matrix derived informer sets
Fig 4
A comparison of models with respect to the structural diversity of the active compounds retrieved.
Each model was assessed by FASR10 evaluations on 224 targets through PKIS1 leave-one-target-out validation. The FASR10 metric is the fraction of the total identified active molecule scaffolds, for the target of interest, that were identified in the top 10% of the ranked compounds on that target. Compounds are grouped by their generic (all-carbon skeletons) representations of Bemis-Murcko scaffolds.