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Cheminformatics Collection
The Cheminformatics Collection is designed to make it easier for you to build database-focused search and browse applications using Pipeline Pilot, Accelrys’ graphical scientific workflow authoring application. The collection is comprised of two sub-systems:
- List Management and Query Services (LMQS) - a database search and hit list management system
- Accelrys Direct - a high performance data cartridge that enables you to store and search chemical structures, reactions and biomolecular sequencesin Oracle
Together, these powerful systems provide you with a strong foundation on which to build a variety of enterprise cheminformatics applications.
With the Cheminformatics Collection you can:
- Search a variety of different data sources from your web browser by using the out-of-the-box Pipeline Pilot Database Search web client or home-grown Web Port application, regardless of underlying chemistry format, database design or search engine.
- Easily integrate new and existing data sources for searching into Pipeline Pilot via LMQS, without modifying underlying database designs or migrating data.
- Store and search chemical structures and reactions in Oracle databases using the Pipeline Pilot Chemistry Cartridge.
- Write protocols that enable you to insert, index and search chemical data in Oracle without the expertise of an Oracle database administrator or experience with the Oracle command line syntax.
- Take advantage of list management capabilities in Pipeline Pilot to build protocols that visualize, analyze, and report on search results and make them available to chemists and biologists through the Pipeline Pilot Database Search web client.
- Build high performance, Pipeline Pilot-based search and browse applications faster to simplify and accelerate development.
Read the Cheminformatics Collection Datasheet
Winner of the 2009 Best New Product Award!
The LMQS system in the Cheminformatics Collection was awarded the best new product in the Chemistry division at the Molecular Medicine Tri-Conference, San Francisco.
Image Gallery
EnlargeBuilding a query form for searching a data source in the Pipeline Pilot Database Search web client
EnlargeViewing the status of cartridge indexes using an interactive dashboard
EnlargeUsing the Import to Database component to create a fully indexed and searchable chemistry table in Oracle
EnlargeAnalyzing hit list data in the Pipeline Pilot Database Search web client using a protocol-based interactive 2-D scatter plot
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