MKS Knowledge Base Export Dialog
Applicability: Cranium, Synapse (core versions 0315+)

Molecular Knowledge Systems stores all values as objects in SQLite database files. This format enables Cranium and Synapse to use a rich variety of often complex data structures yet manage these objects using the power of an SQL relational database. Because each document is an actual file residing on a computer, you can easily copy files, email files and copy file contents.

Copying data values from one document into another is a very common operation. For example, here at MKS we often keep at least three copies of each document type: an internal copy which contains fully verified information; an example copy which contains fully verified and complete values for a select number of entities (these are the documents we distribute to you, our customers); several "working" copies which contains values being evaluated or developed.

Tip: Export values for technical support

As fullfillment of a technique support project, we will often send you a small knowledge base or other document that contains only one or two chemicals, mixtures, techniques, etc. When you have a question for us, you can use these procedure documented here to do the same thing - send us a small document with only a few entities that you have questions about.

Example: Export values into an MKS Knowledge Base 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 'MKS Knowledge Base Format' from the Output File Format list and press the Export button. The Create a Knowledge Base File dialog is activated.
    1
    Browse button for entering the name of the export file.
    2
    The entity type being displayed. All entity types contained in current knowledge based can be exported.
    3
    List of entities selected to be exported.
    4
    Options for exporting internal entities:
    • Internal chemicals: option to export chemicals that were not explicitly selected but are components of mixtures being exported.
    • Internal groups: option to export groups that were not explicitly selected but are used by exported estimation techniques.
    • Internal elements: option to export elements that were not explicitly selected but are used in the structures of exported chemicals and groups.
    • Internal references: option to export references that were not explicitly selected but are cited by exported entities.
    5
    The properties to be exported. Often you use the All Props button to select all properties for exporting.
    6
    The datum status values to be exported. Often you use the All Status button to select all status values for exporting.
    7
    Commands for:
    • All Entities, All Props, All Status: select all listed entities, properties or status values
    • Select Entity: activates the Select Entity dialog. This dialog facilitates the selection of entities by name and other attributes
    • Clear Entities, Clear Props, Clear Status: deselects all listed entities, properties or status values
    • Bookmark: use a bookmark to select chemicals
    8
    Export button
  5. Press the Browse button to select the file into which the exported values will be written.
  6. Select one or more chemicals from the Entities list. Use the Select Entity and Bookmark buttons to facilitate your selection. You can also press the All Entities button to select all displayed entities for export.
  7. Press the All Props button to select all listed properties.
  8. Press the All Status button to select all listed status values.
  9. We will not explicitly select any elements or references to export but will select the options for exporting internal entities. Check the boxes for Internal elements and Internal references.
  10. When internal entities are exported, the properties and status values exported will be those selected. So, even if we are not explictly exporting elements and references in this example, it is usually desirable to select properties and status values for these entity types. Thus, change the entity type to Element and press the All Props and All Status buttons. Then change the entity type to Reference and again press the All Props and All Status buttons.
  11. Finally press the dialog's Export button. Cranium or Synapse will compile the physical properties of the selected entities and write these values into the named destination knowledge base.
Tip: Expect multiple passes

If you select any of the internal entity options, you will most likely see the progress bar "restart" several times during the export process. This is because Cranium and Synapse will first export your selected entities while making note of any internal chemicals, groups, element and references used. Cranium and Synapse will then repeat the export process for these noted internal entities. If any of these internal entities use any other entities they will be noted and the export process repeated again.

Example Files

The following knowledge bases were generated by exporting physical property values for various chemicals, mixtures and estimation techniques.

Example File Description
MKS02ExportKB01.mkskbd This knowledge base was generated by exporting physical property values for seven common chemicals. Internal elements and references, i.e., elements and references used by these seven chemicals but not explictly selected for export, were also exported.
MKSJSONExportFile02.json

This knowledge base was generated by exporting physical property values for the Ethanol + Water mixture and the Tc: Lydersen Method. No internal chemicals, groups, elements or references were selected. Thus the chemicals that comprise the mixture and the groups used by the technique were not exported. The knowledge base thus does not contain the needed information, e.g., the molecular weights of component chemicals and the molecular structure of groups, to perform unit conversions or property estimation.

Although this knowledge base is missing some very important dependent information, it is valid and useful for exchanging information. If the mixture or technique is copied into another knowledge base, one containing the needed dependent values, they would function normally.

MKS02ExportKB01.mkskbd This knowledge base was generated by exporting physical property values for the Ethanol + Water mixture and the Tc: Lydersen Method. Internal chemicals, groups, elements and references were also exported. Thus the chemicals that comprise the mixture, the groups used by the technique, the elements used in the chemical and group structures and the references used by all entities were also exported. The knowledge base thus contains all the needed information to perform unit conversions, property estimation and other operations.
Video Demonstration

Please see our video demonstrating how to export MKS Knowledge Bases. The video demonstrates the general procedure for exporting values as well as the effect of selecting the various internal entity options.

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.