Enrichment factors for top 1,000 compounds.

The enrichment factor (EF) can be defined as: where a is the number of active compounds in the n top-ranked compounds and A is the number of total N compounds. In this table, the n for EF (10%), n for EF (30%), and N were 100, 300, and 1,000, respectively. For the respective proteins, A, n for EF (10%), and n for EF (30%) indicate the numbers of active compounds in the top 1,000, top 100, and top 300, respectively. All of the EF values calculated from the result of screening using multiple poses. “Rescoring” indicate the result of rescoring approach (docking) (see Materials and Methods).