Chemical database management
and data warehousing can be illustrated by the following screenshots.

Storage of vast data on compound properties; structures, the table and peak rendering of spectra; drawing curves of functions.

Useful utilities form the following groups:

• Tools for browsing, editing and correcting files of certain formats that differ from ChemoSoft ones. They enable the direct opening of those files, which saves time that was previously wasted on import/export procedures.
• Utilities for correcting errors in database structures, search for tautomers (most probably, multiplicates of the same substance), the refinement of the inconvenient display of structures and the replacement of a certain moiety of database structures by another fragment (e.g. to unify all representations of the nitro-group).
• Utility for a multiple condition search.
• File converters.
• Add-in storing and rendering trivial names for predefined structures.

Data warehousing is based on strong support by powerful search systems in ChemoSoft. They include search for several values simultaneously; search for several substructures simultaneously; multiple condition search, search of several databases simultaneously; search for an exact structure, substructure or similar structures; unique mining for bioisosters; intelligent deriving heterocyclic cores; search for assigned-to-atom data, and search with arrays.

Multiple condition search.

Search for substructures.

Intelligent deriving heterocyclic cores.

Search for assigned-to-atom data.

Data examination tools are represented by search for the same records, test for errors, search for tautomers and simulations of spectra.

Unique search for tautomers allowing to exclude the same compounds drawn differently.