This document outlines an integration between the Contur and HEOS software. The integration is focused on allowing scientists to record experimental data in Contur and register compounds to HEOS as part of their workflow. It describes the Contur REST API and protocol execution framework that can extract and create Contur content. It also describes the HEOS SOAP API that can extract and create content in HEOS, including registering compounds. Components and protocols are provided that use these APIs to facilitate transferring data directly from Contur experiments to HEOS compound registration, without needing to re-enter information, in order to save time and reduce errors.

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