The document outlines the use of the Accelrys Enterprise Platform for visualizing SmartLab data, including querying methods such as SQL and the new Accelrys Query Service (AQS). It emphasizes the ease of creating interactive reports and dashboards using Pipeline Pilot, which allows users to manipulate and visualize SmartLab data effectively. Additionally, it provides resources for further learning about the technology and reporting capabilities.

1. (ATS4-DEV09) Visualizing SmartLab
Data Using the Accelrys Enterprise
Platform
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. Agenda
• Introduction
• SmartLab Reports
• Querying SmartLab Data
• Interactive Reporting in Pipeline Pilot
• Demo
• Conclusions

4. The Architecture of an Interactive Report
Web Port
Query
IDS
Service
Notebook SmartLab
Analytics Tab
AEP
Database
ODBC/JDBC
SharePoint
Pipeline
Pilot Client

5. Querying SmartLab Data
• Querying data from AEP is possible using two techniques:
– Direct SQL queries using the SQL components.
– Queries using the new Accelrys Query Service (AQS) and the
SmartLab integrated data source (IDS).
• Choosing one or another depends on the needs of the
end user and the complexity of the application.

6. SQL Components
• SQL components in AEP rely on an ODBC/JDBC
connection to the database.
• They execute complex SQL queries and allow for mapping
values on incoming data records to query arguments.
• Select components shown below. Other components
exist that support insert, update and delete operations.

7. Accelrys Query Service
• AQS is the new query engine in Pipeline Pilot.
• Based on the Isentris Data Source Service, but with no
dependency on any other Isentris components.
• Available as a RESTful interface and a set of Pipeline Pilot
components in PP 9.0.
• Supports queries expressed in UQL as well as it own XML-
represented query language (PP 9.0).
• Uses an IDS definition to abstract database complexity.
For more information see:
(ATS4-DEV02) Accelrys Query Service: Technology and Tools
(ATS4-DEV03) Accelrys Query Service: Apps and Examples

8. Accelrys Query Service Components
• Comprehensive set of components available that make most
of the RESTful API functionality available to protocol
developers.
• Can be used to run queries and retrieve results that can then
be processed using the whole set of Pipeline Pilot
components for analysis, manipulation, reporting.
• Easier to use than direct SQL because the queries are
constructed against the IDS, which abstracts database
complexity.
• Enable Pipeline Pilot developers who don’t have database
schema knowledge to retrieve the information they desire.

9. Integrating Data Source (IDS)
Pick the tables you want
Link relationships graphically
Publish to scientists
Attach calculators & web services
Pivot data on the fly
Dynamic data sources based on
metadata & user selection
9

10. Building Protocols in Pipeline Pilot
• Using either the SQL or the AQS components, SmartLab queries
can be executed and data becomes accessible as Pipeline Pilot
records.
• Any PP components can be used to manipulate the data, calculate
properties or create visualizations.
• The reporting collection provides components that can generate
interactive HTML reports or export the data in other formats
(Excel, PDF, PowerPoint)
For more information see:
(ATS4-DEV05) Pipeline Pilot 9.0 Advanced Protocol Topics

11. Interactive Reporting in Pipeline Pilot
• Pipeline Pilot reporting collection provides powerful tools for
building interactive dashboards:
– Standard HTML form elements: text box, checkbox, drop-down, radio button
list.
– Various charting components.
– Data Connector component for connected visualizations.
– Protocol links for drill-down from charts, tables and other reporting
elements.
– Protocol Function component and Dynamic Data Container for AJAX
functionality.
– JavaScript component for advanced interactivity.
For more information see:
(ATS4-PLAT07) Interactive Charts Revamped

12. Deployment
• Pipeline Pilot dashboards can be deployed and accessed in
multiple ways:
– Web Port – the Pipeline Pilot web client.
– Direct HTTP protocol links embedded in other web pages.
– Analytics tab in Symyx Notebook 6.6 (SP2 and later)
– SharePoint sites.
– New protocol REST API.
For more information see:
(ATS4-DEV04) Protocols as RESTful Services and RESTful URL Routing

13. Demo
• SmartLab Reports
• SmartLab IDS
• Building a reporting protocol based on SmartLab data
• Deploying the protocol

14. Summary
• Easily query and visualize SmartLab data using the Accelrys Enterprise Platform:
– Create query forms.
– Run queries against the SmartLab database.
– Create powerful interactive visualizations using the AEP reporting collection.
• Additional Resources:
– AQS help documentation.
– Pipeline Pilot help (accessible via Pipeline Pilot Home Page).
– Accelrys Community Forum.
• Other sessions that might be of interest:
(ATS4-DEV02) Accelrys Query Service: Technology and Tools
(ATS4-DEV03) Accelrys Query Service: Apps and Examples
(ATS4-DEV04) Protocols as RESTful Services and RESTful URL Routing
(ATS4-DEV05) Pipeline Pilot 9.0 Advanced Protocol Topics
(ATS4-PLAT07) Interactive Charts Revamped