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Ligand guided optimization of AR subtype models. Progression of VLS selectivity from an initial homology model through four iterations of the procedure is shown for each of the AR subtypes (only 2 iterations for A2AAR model). Tables show three different metrics of VLS performance of the models: linear ROC_AUC, normalized square root NSQ_AUC and enrichment factor at 1% dataset cutoff, EF(1%).
