To further investigate the validity of docking based virtual screening, after virtual screening of 113,228 compounds against BACE-1 by Surflex, we employed conventional consensus scoring and PCA scoring protocol to select compounds for experiment test against BACE-1. Standing the view of economic point, the number of compounds to be tested in computational docking studies should be restricted in a smaller and reasonable range, therefore, we used several filters to the select the final compounds in Surflex_score extracted pose for experiment.