This section covers the following
topics mirroring ChemoSoft functionality and benefits.

• All array of instruments to synthesize compounds, ensure quality control, process
  the results and extract new ideas from the results for your business development:
  computation of syntheses, management of spectra (NMR, IR, mass), calculation of functions
  and drawing of plots and diagrams.
• All circle of data processing including input\output, edition, viewing, conversion, validation, and refinement: import\export from\to different file formats including SD and MOL, batch regime of export\import, chemical structure editor, processors of spectra, time-saving direct viewing of a number of formats (SD, MOL, JCAMP, etc), file converters, check of database structures for errors, search for tautomers and other same and similar structures, simulation of spectra, etc. All this along with high performance, almost unlimited possible database capacity (up to 10,000,000 records) and warehousing features form a strong scientific base for your business.

In short, we can, based on functionality classification, distinguish the following ChemoSoft features:

• Management and warehousing of chemical databases.



An example of different information storage:
structure, a function of a molecule property and a curve drawn based in the function.

• Useful utilities for the support of chemical database management (time-saving direct viewing of a number of formats [SD, MOL, JCAMP, etc.], file converters, check of database structures for errors, search for tautomers, etc.)
• Synthesis computations like calculation of material balance for a given reaction, elemental composition of a compound (C, H, N, O…%), etc.



Calculation of material balance.

• Management and simulation of spectra and their databases. This includes different utilities for the work with NMR, IR, and mass spectra. A key ChemoSoft characteristic is its ability to store (and manipulate) spectra together with structures in the same database. This can evidently be regarded as a warehousing attribute of ChemoSoft.



NMR, IR, and mass spectra stored in the same database.

• Chemical Structure Editor. One of the major features of Chemical Structure Editor is its integration with the database management platform in such a manner that you can easily navigate through a database while remaining in the Editor! This considerably increases the rate of structure editing or entering.



Chemical Structure Editor.

All the functions above are described in appropriate subsections of the present section.