Centralized 3D database for existing chemicals and Database manager: The database consists of all 200,000 existing chemicals across State agencies. The chemicals are precalculated, i.e., they are conformationally multiplied and each conformer is quantum-chemically estimated. The precalculated molecular structures could enhance the screening process when 3D QSARs are applied. The database manager allows flexible search with a logical combination of 2D-, 3D-descriptors and physicochemical parameters. Similarity search can be performed in a user defined structural space for a query chemical.