Virtual Computational Chemistry Laboratory

Input data Output results Examples List List of key words


Program files


The program calculates and returns four files: LogFile(always),output (always), graphicsand models.

  • LogFile contains main program output. Thedetailed content of this file depends from the selected program options.
  • output contains a summary of neural networkstatistic from LogFile.
  • graphics contains calculated vs. targetvalues that are used to display calculated results.
  • models contains model parameters that arerequired to predict new data.

File output.

LogFile

   

PRINT options

 

File models

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