From: "Daylight CIS, Inc." <daylight-announce@daylight.com>
Date: September 17, 2007 10:35:13 AM EDT
Subject: Daylight Web Services Demo
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Daylight Web Services Demo
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NETWORK ACCESS TO CHEMISTRY-ORIENTED PROCESSES
Daylight Web Services provide a valuable mechanism for delivering cheminformatics functionality within an organization. Web services use standard, open protocols to pass parameter data along with a particular service request over a network, thus triggering an action and the return of a defined response. Daylight Web Services use standard protocols with SOAP messaging to provide easy access to Daylight functions and are ready to use in user-designed workflows, web-based applications, or command line applications.
CHECK OUT THE DEMO
A demo of the web services is available at http://demo.daylight.com. We encourage you to take a look.
The demo is a simple application that utilizes the following Daylight Web Services:
* getDepiction - converts a single SMILES string or TDT into a structural diagram in GIF format
* canonicalizeSmiles - parses a list of molecules or reactions and generates the corresponding canonical SMILES
* getProperties - calculates values for a specified list of different physical properties for one or more input SMILES
* convert Structure - inter-converts data and structures between MDL chemical table-based file formats and Daylight SMILES-base formats
* derive Scaffold - generates a single SMARTS scaffold that captures all common substructure elements including ring topology from a list of SMILES
* derived SDClusters - partitions moderately-sized sets of input SMILES into clusters with significant scaffolds
The first four web services are located on the Core Services page. The later two can be accessed from the Scaffolds and Clustering pages, respectively. See the application Help page for demo instructions.
LET US KNOW WHAT YOU THINK
How do they look? Would they be useful to you? What other web services could you use? We'd like to hear your thoughts -- please send feedback to peter@daylight.com.
Thanks!
Peter
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Peter Nielsen
Director, Marketing & Business Development
DAYLIGHT CHEMICAL INFORMATION SYSTEMS, Inc.
office: 802-223-9831
cell: 802-598-4819
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Daylight Chemical Information Systems, Inc.
120 Vantis, Suite 550
Aliso Viejo, CA 92656
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