jchem web services server jonathan lee solutions for cheminformatics technical product presentation
TRANSCRIPT
![Page 1: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/1.jpg)
JChem Web Services Server
Jonathan Lee
Solutions for Cheminformatics
Technical Product Presentation
![Page 2: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/2.jpg)
Interface to JChem Suite of ToolsJChem Web Services
• Extends access to the JChem suite of tools
• Works over the Internet or an internal network.
• Used by your applications
![Page 3: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/3.jpg)
Introduction to Web Services• Interoperability
• Allows applications to communicate independent of:• Platform
• Programming language
Your Applications
![Page 4: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/4.jpg)
Army of One or Architected Team• A single service can power a simple
application.
• Services are the building blocks• Work with other Web services or desktop
applications
• Part of a Service-Oriented Architecture
![Page 5: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/5.jpg)
Standards and Languages• WS-I, SOAP, and WSDL standards
• Reusable and accessible to other services
• Automated client-side code generation
Supports•Web Languages: AJAX/JavaScript, Perl, Python, Ruby, PHP, …•App languages: Java, C#, …•Growing list of JChem Modules (Searching, Standardization, Chemical Terms, Molecule Conversion…)
![Page 6: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/6.jpg)
Unlocking the Scripting Menagerie
<soap:Body> <evaluateReturnNum xmlns="http://webservice.jchem.chemaxon">
<target>CC=CC</target> <expression>logp</expression>
</evaluateReturnNum> </soap:Body>
loc = ChemicalTermsWS_client.ChemicalTermsWSLocator()evaluator = loc.getChemicalTermsWSHttpSoap11Endpoint()req = ChemicalTermsWS_client.evaluateReturnNumRequest()req.Target = ‘CC=CC’req.Expression = ‘logp’resp = evaluator.evaluateReturnNum(req)
var xhr = new XMLHttpRequest();xhr.open(method, url, async);xhr.setRequestHeader('Content-Type', 'text/xml; charset=utf-8');xhr.send(createEvaluateReturnNumRequest(“CC=CC”, “logp”);
![Page 7: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/7.jpg)
JChem WS Server Architecture
Apache Open Source Components
•Axis2 Web Service Engine and Tomcat Web Container
OS List
•Windows
•Unix
•Linux (SUSE, Red Hat, Ubuntu, Gentoo)
•Mac OS X
![Page 8: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/8.jpg)
Current Services• Database Related Services
– JChem Search Service– Relational Table Service– Data Manipulation Service– Connection Service
• Molecular Conversion Service
• Standardization Service
• Chemical Terms Evaluation Service
• Reactor Service
![Page 9: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/9.jpg)
Future Services• SQL Execution Service
• Molecular Search Service
• Markush/R Group Decomposition Service
• Database Table Management
• Expanded Batch Processing
![Page 10: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/10.jpg)
AJAX Demo of JChem Web Services
JChemSearch Web Service - www.chemaxon.com/ajax
![Page 11: JChem Web Services Server Jonathan Lee Solutions for Cheminformatics Technical Product Presentation](https://reader033.vdocuments.mx/reader033/viewer/2022051613/551464ed550346414e8b5b02/html5/thumbnails/11.jpg)
Find out more about JChem Web Services
• Product descriptions & linkswww.chemaxon.com/products/ jchem-web-services/
• Forumwww.chemaxon.com/forum/ forum93.html
• Presentations and posterswww.chemaxon.com/library/ scientific-presentations/
• Download
www.chemaxon.com/download/ jchem-web-services/