MUG '05 -- 9 - 11 March, 2005
Rapid Application Development using InforSense Open Workflow and Daylight Technologies
Anthony C. Arvanites
We will describe the integration of the Daylight data cartridge (DayCart) and the Daylight toolkits into the Inforsense Open Workflow technology. This provides an integrative workflow-oriented environment for rapid application development and deployment in cheminformatics and drug discovery.
Particular attention will be given to:
The resultant production level workflows can be deployed by a variety of means, including web services and portals, to the research organization, thus providing a mechanism for enabling the required seamless and collaborative access to data, tools and applications.
- Structure handling, fingerprint calculation and chemical searching.
- Advanced informatics workflow constructs (e.g. Control Flow, Looping).
- In-database analytics.
- Cross domain processes (e.g. Hit-to-Lead process that combines chemistry and biology).
Daylight Chemical Information Systems, Inc.