Table 1. Virtual screening of the NCI database.

National Cancer Institute (NCI, USA) database	about 240 000 compounds
Screening with ligand-based pharmacophores	7175 hits
Screening with structure-based pharmacophore (no excluded volumes)	3474 hits
Drug likeness filter	1763 hits1
Addition of excluded volumes to mimic shape of binding pocket	746 hits2

¹generation 1 hit list,

²generation 2 hit list.