MATLAB Export Dialog
Applicability: Cranium, Synapse (core versions 0315+)

MATLAB is a programming environment that provides mathematical tools for matrix manipulation, function plotting, equation solving, etc. Cranium and Synapse can generate a script file containing physical property data and technique parameters. These values are encapsulated in a MATLAB object. An example file is shown below:

Example: Export values into a MATLAB Script file.
  1. Open a Knowledge Base using either Cranium or Synapse.
  2. Click on the File menu and select the Export Values command.
  3. The application will activate the KB Export Dialog.
  4. Select 'MATLAB Class Definition Format' from the Output File Format list and press the Export button. The MATLAB Script File Creation dialog is activated.
    Browse button for selecting the name of the file into which the physical property values will be written.
    List of chemicals to be exported. You may select one or more chemicals.
    Commands for:
    • Select All: select all listed chemicals
    • Select None: select no listed chemicals
    • Detail: shows details, e.g., structure and properties, about the selected chemicals
    • Use Bkmrk: use a bookmark to select chemicals
    • Find: Use the Find Chemical dialog to find a chemical by its name, synonym, chemical formula, etc.
    Export button
  5. Press the Browse button to select the folder into which the exported files will be written.
  6. Select one or more chemicals from the central list. Use the Use Bkmrk (Use Bookmark), Detail and Find buttons to facilitate your selection.
  7. Finally press the dialog's Export button. Cranium or Synapse will compile and estimate the required physical properties, regress these properties into equation parameters and write the MATLAB functions into the specified file.
Example Files

The following MATLAB script file was generated by exporting seven chemicals (acetic acid, cyclohexanol, ethanol, ethyl acetate, n-hexane, toluene and vinyl chloride).

Example File Description
MatlabExportFile01.m A MATLAB script file containing data for seven common chemicals.
MatlabExportFile01.xlog A the log file generated by Cranium and Synapse documenting the data values and estimation methods used to generate the values exported to the script file.
Related Documentation
Topic Description
Estimating Chemical Properties a short video demonstrating how to estimate the physical properties of pure chemical using either Synapse or Cranium.
Estimating Mixture Properties a short video demonstrating how to estimate the physical properties of mixtures using either Synapse or Cranium.
Getting Started using Cranium provides a quick tour of Cranium's capabilities including physical property estimation and a discussion of structure editing.
Getting Started using Synapse provides a quick tour of Synapse's capabilities including examples of chemical product design.