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ChemGPS API

The service provides principal component analysis (PCA) of chemical samples with relevance to biology to generate a global space map. In effect, it provides a sort of global positioning system (GPS) identifying the location of a sample in an overall matrix of properties based on its chemical composition. Analysis produces a description of a set of compounds based on dimensions or components that together represent its physical-chemical properties, including size, aromatic properties, lipophilic properties, polarity, and flexibility.

API methods support submission of sample data for analysis, resulting in mapping of its properties through interpolation of PCA scores. Methods support queuing a sample dataset for analysis and monitoring processing status. Methods also support access to analytical results upon completion of the process.

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ChemGPS: Highlights

Summary
Chemical analysis and mapping service
Category
Science
Tags
Protocols
SOAP
Data Formats
XML
API home
http://chemgps.bmc.uu.se/batchelor/about.php 

ChemGPS: Specifications

Functionality

Client Install Required
No  
WSDL
http://130.238.39.144/batchelor/ws/schema/wsd ...

Signup and Licensing

Signup Requirements
Yes, register account  
Developer Key Required
 
Account Required
Yes  
Commercial Licensing
 
Provider
 
Non-Commercial Lic.
 
Data Licensing
 
Usage Fees
 
Program Fees
 
Certification Program
 
Usage Limits
8000 molecules, 1024KB data per request 
Terms of Service
 

Security

Authentication Model
 
SSL Support
 
Read-only Without Login
 

Support

Vendor API Kits
 
Community API Kits
 
API Blog
 
Site Blog
 
API Forum
 
Developer Support
 
Console URL
 

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Mashups, Developers & Source Code

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