Additional file 7 of QSAR-derived affinity fingerprints (part 1): fingerprint construction and modeling performance for similarity searching, bioactivity classification and scaffold hopping

Additional file 7. Biological activity classification task. Average values of AUC and EF5 for individual sets in the CLASS data sets obtained using various settings (affinity cutoffs of 5-8, AD estimation turned on and off) for the construction of the b-QAFFP and rv-QAFFP fingerprints.