3D Dictionary of Drugs

ChemCore module to three-dimensionalize 2D structures, interfaces to reformat MACCS, SMILES, or DARC-2D databases, ChemDBS-1 module to build 3D databases, and ChemDBS-3D module to search 3D databases. Database searching accounts for conformational flexibility while storing only one conformation. Chapman 8c Hall s 3D Dictionary of Drugs (12,000 medicinally interesting compounds), 3D Dictionary of Natural Products (50,000 antibiotics, alkaloids, and terpenoids), and 3D Dictionary of Fine Chemicals (105,000 organics). 

J. Elks and C. R. Ganellin, Chapman and Hall Dictionary of Drugs 3D. Chemical Data, Structure and Bibliography. Cambridge University Ptess, 1990. Distributed by Chemical Design Ltd., Chipping Norton, Oxon, U.K. 

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