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.
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.
|Browse button for entering the name of the export file.
|The entity type being displayed. All entity types contained in current knowledge based can be exported.
|List of entities selected to be exported.
Options for exporting internal entities:
|The properties to be exported. Often you use the All Props button to select all properties for exporting.
|The datum status values to be exported. Often you use the All Status button to select all status values for exporting.
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.
The following knowledge bases were generated by exporting physical property values for various chemicals, mixtures and estimation techniques.
|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.
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.
|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.
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.
|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.