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Handling Remote Data with Web Service Entity

A web service entity serves as a link to outside databases, allowing to access and use data from online sources directly within IJC views. This capability supports immediate data access without the need for downloading or updating datasets manually. As a result, team members in different locations can work with the same data and communicate results in real time. To sum up, the main advantages are:

  • Real-time Access: Instantly updates with the latest data from online databases.
  • Saves Space: No need to download bulky datasets, freeing up local storage.
  • Boosts Collaboration: Allows team members anywhere to work with the same data.
  • Seamless Integration: Works with external data as if it were local.
  • Wide Data Access: Connects to a vast array of databases for extensive resources.

Example: Connecting to remote Chembl database

The following example shows how to access and integrate data provided by the Chembl Descriptors Web Service directly within the context of the Pubchem demo grid. This integration enhances the capabilities of Pubchem demo by providing additional chemical descriptor information from an external web service (Chembl).

  • Video tutorial on how to set and use Web Service Entity is available here.
  • For detailed description of Web Service entity, please navigate here.

  1. Close IJC if opened. Ensure that the Java property com.chemaxon.dif.enable.wsentity is set to true. In order to do so, navigate to etc\instantjchem.conf and add -J-Dcom.chemaxon.dif.enable.wsentity=true as can be seen in the screenshot below.
    images/download/attachments/1805466/defaultoptionwebserviceentity.png

  2. Download ijc-api-examples.zip corresponding to your IJC version and install plugin ijc-api-examples\plugins\com-chemaxon-ijc-wsentity-chembldescriptors.nbm. If you need help with installing plugins in IJC, follow the steps outlined, for example, in Installing Plugins documentation.

  3. Start IJC. A new action titled New Data Tree and Web Service entity (virtual view) will is available. This action can be found in the pop-up menu that appears when you right-click on a schema. Fill in the Display Name:. Copy the following configuration in the config: box

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    {
    handlerClass: "com.chemaxon.ijc.wsentity.chembldescriptors.ChemblHandler",
    webService: {
        description: "Chembl Descriptors Web Service",
        baseURL: "https://www.ebi.ac.uk/chembl",
        operations: [
            {
                id: "descriptors",
                description: "Get molecule descriptors",
                httpMethod: "POST",
                endpoint: "/api/utils/chemblDescriptors",
                handlerClass: "com.chemaxon.ijc.wsentity.chembldescriptors.GetDescriptors"
            }
        ]
    }
}

    and click Finish.

  4. Click on Edit Schema and navigate to Entities tab. Once here, right click on Pubchem demo entity and choose New Relationship.... Here, choose New Virtual relationship and fill in the details as can be seen in the picture below.
    images/download/attachments/1805466/NewRelationship.png

  5. Next step is to add your Web Service entity as a child entity to Pubchem demo. To do this, in Data Tree tab, R-click on Pubchem demo data tree and select Manage Child Entities.... Simply check the Web Service entity as shown in the picture below and click Finish.
    images/download/attachments/1805466/MenageChildEntity.png

  6. Now, you can add fields from the newly created Web Service to your Pubchem demo grid view(s).
    images/download/attachments/1805466/newfields2.png

Should you require a solution precisely tailored to your specific needs, the Instant JChem support team is ready to assist. Contact us via Chemaxon Freshdesk.