3DGEN

Ivanov J, Karabunarliev S, Mekenyan O. 3DGEN a system for exhaustive 3D molecular design proceeding from molecular topology. J Chem Inf Comput Sci 1994 34 234-43. 

The dynamic method for selection of active conformers appears to be useful in this venture. Its first step is a procedure for generation of 3D isomers, representing the conformational space of molecules. Although the 3DGEN algorithm is used in the OASIS system, most of the other algorithms for conformational space search (after minor modifications) could be used for that purpose. Next, a method for conformer screening is nsed, based on a hierarchical set ofmles, in an attempt to find the active conformers. 

Ivanov, S. Karabunarliev, and 0. Mekenyan. 3DGEN A system for exhaustive 3d molecular design proceeding from molecular topology./. Chem. inf Comput. Sci., 34 234-243,1994. 

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