Learn MoreUser's Manual PosterNetwork access to chemistry-oriented processes
Daylight Web Services provide a valuable mechanism for delivering chemistry programs 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 provideeasy access to Daylight functions and are ready to use in user-designed workflows, web-based applications, or web-based applications.
The following Web Services are currently available:
INFORMATICS
- canonicalizeSmiles - parses a list of molecules or reactions and generates the corresponding canonical SMILES
- convertStructure - interconverts data and structures between MDL chemical table-based file formats and Daylight SMILES-based formats
- desaltSmiles
- strips salts from structures based upon a user-defineable list - getDepiction - converts a single SMILES string or TDT into a structural diagram in GIF or PNG format
- normalizeSmiles - standardizes structures based upon a list of SMIRKS transforms
- getClogP - calculates the both the logarithm of the computed octanol-water partition coefficient (clogP) and molar refractivity (cmr)
- getProperties - calculates values for a specified list of different physical properties for one or more input SMILES
- getTautomers - calculates tautomers for input SMILES
- getTransform - applies a specified transform to one or more input SMILES
- generateRTable - parses a single, scaffold-based cluster of molecules and determines the RGroups for that scaffold
- deriveScaffold - generates a single SMARTS® scaffold that captures all common substructure elements including ring topology from a list of SMILES
- deriveSDClusters - partitions moderately-sized sets of input SMILES into clusters with significant scaffolds
- executeProgram - enables the use of any program conforming to the PipeTalk protocol to be accessed via a web service