DBMAKER - A SET OF PROGRAMS TO GENERATE 3-DIMENSIONAL DATABASES BASEDUPON USER-SPECIFIED CRITERIA

DBMAKER is a program that, in conjunction with CONCORD, generates thre e-dimensional structural databases. Numerous user-defined parameters m onitor content, composition, size and connectivity information, but al low the program to generate random compounds within the scope of these constraints. SMILES string representations are generated, and convers ion to 3D is performed by CONCORD. This assures high-quality 3D struct ures and portability to numerous proprietary storage formats. Methods are described to maintain compound registration, allowing database exp ansion as required without duplication.