Lay summary
Improving human health largely depends on the continuous discovery of new drug molecules for treating diseases. In order to expand the reach of available molecules for medicine, we have generated a large database of all possible small organic molecules, called GDB, which contains 26.4 million structure up to 11 atoms of C, N, O and F. The project now builds on this database for targeted application on selected drug targets, in particular glutamate receptors and transporters and acetyl choline receptors in the central nervous system, using virtual screening as a tool for discovery. Several promising lead structures have already been identified, synthesized, and their activity confirmed, and we are confident that this line of research will provide new structural types for drugs.