MKS Web Interface Demonstrations

The MKS Web Interface enables you to interact with Cranium (and Synapse) using requests made via the internet. Currently, these requests enable you to:

  1. get data values (active, passive, rejected);
  2. estimate property values of current chemicals;
  3. estimate property values from chemical structure;
  4. request information on entities, properties, and units.

In the future, we will provide additional requests that will enable you to:

  1. create and delete chemicals, mixtures, and reference;
  2. store your own data for these entities;

These web pages show examples that demonstrate how you can work with this interface. Please note that the interface is currently in beta test so we would greatly appreciate if you could report any issues to us.

MKS Request Demonstration: Explains the underlying Molecular Knowledge Systems (MKS) Request mechanism for requesting data and estimates from Cranium or Synapse.

Chemical Data Demonstration: Retrieves a selected chemical's physical properties from a Cranium knowledge base.

Chemical Estimates Demonstration: Estimates several physical properties for a selected chemical.

Mixture Estimates Example: Estimates several physical properties for a mixture composed of two or three components.

Structure Estimates Example: Estimates several physical properties given a molecular structure's SMILES string.

Units Conversion Example: Shows how you can specify the units in which values should be retrieved.

Specific Requests Example: Details the specific requests that can be submitted to retrieve lists entities, properties, units categories, and units.

API Request Demonstration: Enables you to explore the MKS Web Interface API by constructing example requests.