Figure 1:

Schematic representation of the drug discovery and development process. The areas in the R&D process where structural information can be used are highlighted. In the Target ID space, one structure may be sufficient to identify the target binding site and characterize its mechanism. During the Hit ID stage, a few structures may be required to structurally characterize the lead compounds identified during screening. If a robust structural system is in place, X-ray can be used to run fragment screening campaigns. The heaviest request for structural data happens at the Lead ID/Opt stage, in which several iterations (from compound synthesis to structure/acitivity to SBDD back to synthesis) may happen in few weeks.