Compound libraries ligand discovery using

Another related computational approach to ligand discovery is the method of database mining. Here, the HTS approach is essentially carried out in-silico. Libraries of small molecules are converted to three-dimensional structures using molecular mechanics methods incorporated into programs such as CONCORD and GORINA.These three-dimensional libraries of small molecules can. in theory, contain almost infinite numbers of potential ligands. In practice, it is convenient to consider compounds that are already (commercially) available. The Available Chemicals Database (ACD), - for example, contains some 260,000 compounds and is frequently used as the basis for database mining trials. 

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