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(ATS6-GS02) Integrating Contur and
HEOS
Andrei Caracoti
Senior Manager
Technical Marketing
andrei.caracoti@accelrys.com
The information on the roadmap and future software development efforts are
intended to outline general product direction and should not be relied on in making
a purchasing decision.
Content
• Contur REST API
• Protocol execution framework
• HEOS SOAP API
• AEP Components
• Building the integration POC
Integration Premise
• This integration is focused on scientists who use Contur
to record their experimental data but need to register
compounds to HEOS as part of their workflow.
• The integration saves time by removing the need to log in
to the HEOS interface and copy information across.
• Errors are also minimized, since chemical structures are
transferred directly to HEOS without the need to copy
and paste or redraw.
Contur REST API
• Can be used to extract and create content into the Contur
database.
• Supports WIA, basic authentication and Contur session tokens
• Can be accessed using any tools that support making REST
calls.
• More information: (ATS6-DEV08) Integrating Contur ELN with
other systems using a RESTful API
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 the
Contur database.
• User or group-based access control to protocols.
HEOS SOAP API
• Can be used to extract content from HEOS as well as
creating new content (registering compounds, adding
assay results).
• Standard SOAP interface.
• Authentication through login method.
Components
• REST API can be accessed through the HTTP Connector
component.
• SOAP API can be accessed through the SOAP Connector
component
• Contur and HEOS component collections wrap the
functionality of the APIs to facilitate protocol development
• (ATS6-DEV09) Deep Dive into REST and SOAP Integration for
Protocol Authors
DemoContur-HEOS Integration
• Demo integration
• Discuss Contur and HEOS APIs
• Show components
• Show protocols
• Contur and HEOS APIs facilitate integration between the
applications and can help with integrating with third
party applications.
• Components exist that can help building different
integration scenarios.
• A few sessions dealing with REST APIs.
Summary
Screenshot DemoHEOS Chemistry Registration from Contur Experiment
(ATS6-GS02) Integrating Contur and HEOS
(ATS6-GS02) Integrating Contur and HEOS
(ATS6-GS02) Integrating Contur and HEOS
(ATS6-GS02) Integrating Contur and HEOS

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(ATS6-GS02) Integrating Contur and HEOS

  • 1. (ATS6-GS02) Integrating Contur and HEOS Andrei Caracoti Senior Manager Technical Marketing andrei.caracoti@accelrys.com
  • 2. The information on the roadmap and future software development efforts are intended to outline general product direction and should not be relied on in making a purchasing decision.
  • 3. Content • Contur REST API • Protocol execution framework • HEOS SOAP API • AEP Components • Building the integration POC
  • 4. Integration Premise • This integration is focused on scientists who use Contur to record their experimental data but need to register compounds to HEOS as part of their workflow. • The integration saves time by removing the need to log in to the HEOS interface and copy information across. • Errors are also minimized, since chemical structures are transferred directly to HEOS without the need to copy and paste or redraw.
  • 5. Contur REST API • Can be used to extract and create content into the Contur database. • Supports WIA, basic authentication and Contur session tokens • Can be accessed using any tools that support making REST calls. • More information: (ATS6-DEV08) Integrating Contur ELN with other systems using a RESTful API
  • 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 the Contur database. • User or group-based access control to protocols.
  • 7. HEOS SOAP API • Can be used to extract content from HEOS as well as creating new content (registering compounds, adding assay results). • Standard SOAP interface. • Authentication through login method.
  • 8. Components • REST API can be accessed through the HTTP Connector component. • SOAP API can be accessed through the SOAP Connector component • Contur and HEOS component collections wrap the functionality of the APIs to facilitate protocol development • (ATS6-DEV09) Deep Dive into REST and SOAP Integration for Protocol Authors
  • 9. DemoContur-HEOS Integration • Demo integration • Discuss Contur and HEOS APIs • Show components • Show protocols
  • 10. • Contur and HEOS APIs facilitate integration between the applications and can help with integrating with third party applications. • Components exist that can help building different integration scenarios. • A few sessions dealing with REST APIs. Summary
  • 11. Screenshot DemoHEOS Chemistry Registration from Contur Experiment