(ATS6-GS02) Integrating Contur and HEOS

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In this session, we will look at how the Accelrys Enterprise Platform facilitates the integration between Contur and HEOS to implement compound registration form Contur into HEOS without leaving the Contur experiment.

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(ATS6-GS02) Integrating Contur and HEOS

  1. 1. (ATS6-GS02) Integrating Contur andHEOSAndrei CaracotiSenior ManagerTechnical Marketingandrei.caracoti@accelrys.com
  2. 2. The information on the roadmap and future software development efforts areintended to outline general product direction and should not be relied on in makinga purchasing decision.
  3. 3. Content• Contur REST API• Protocol execution framework• HEOS SOAP API• AEP Components• Building the integration POC
  4. 4. Integration Premise• This integration is focused on scientists who use Conturto record their experimental data but need to registercompounds to HEOS as part of their workflow.• The integration saves time by removing the need to log into the HEOS interface and copy information across.• Errors are also minimized, since chemical structures aretransferred directly to HEOS without the need to copyand paste or redraw.
  5. 5. Contur REST API• Can be used to extract and create content into the Conturdatabase.• Supports WIA, basic authentication and Contur session tokens• Can be accessed using any tools that support making RESTcalls.• More information: (ATS6-DEV08) Integrating Contur ELN withother systems using a RESTful API
  6. 6. Contur Protocol Execution Framework• Allows for the execution of AEP protocols from the Contur.net client.• Registered protocols appear in Protocols toolbox.• Protocols can receive the following as parameter values:– %EXPERIMENTNUMBER%– %DOCUMENTID%– %USERNAME%– %SESSIONTOKEN%– %SECTIONID%• Protocols can then use REST API to communicate with theContur database.• User or group-based access control to protocols.
  7. 7. HEOS SOAP API• Can be used to extract content from HEOS as well ascreating new content (registering compounds, addingassay results).• Standard SOAP interface.• Authentication through login method.
  8. 8. Components• REST API can be accessed through the HTTP Connectorcomponent.• SOAP API can be accessed through the SOAP Connectorcomponent• Contur and HEOS component collections wrap thefunctionality of the APIs to facilitate protocol development• (ATS6-DEV09) Deep Dive into REST and SOAP Integration forProtocol Authors
  9. 9. DemoContur-HEOS Integration• Demo integration• Discuss Contur and HEOS APIs• Show components• Show protocols
  10. 10. • Contur and HEOS APIs facilitate integration between theapplications and can help with integrating with thirdparty applications.• Components exist that can help building differentintegration scenarios.• A few sessions dealing with REST APIs.Summary
  11. 11. Screenshot DemoHEOS Chemistry Registration from Contur Experiment

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