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JChem Web Services Server

JChem Web Services Server. Technical Product Presentation. Jonathan Lee. Solutions for Cheminformatics. Interface to JChem Suite of Tools. JChem Web Services Extends access to the JChem suite of tools Works over the Internet or an internal network. Used by your applications.

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JChem Web Services Server

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  1. JChem Web Services Server Technical Product Presentation Jonathan Lee Solutions for Cheminformatics

  2. Interface to JChem Suite of Tools JChem Web Services Extends access to the JChem suite of tools Works over the Internet or an internal network. Used by your applications Your Application

  3. Introduction to Web Services • Interoperability • Allows applications to communicate independent of: • Platform • Programming language Your Applications

  4. 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

  5. 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…)

  6. Unlocking the Scripting Menagerie 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”); • <soap:Body> • <evaluateReturnNum xmlns="http://webservice.jchem.chemaxon"> • <target>CC=CC</target> • <expression>logp</expression> • </evaluateReturnNum> • </soap:Body>

  7. 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

  8. 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

  9. Future Services SQL Execution Service Molecular Search Service Markush/R Group Decomposition Service Database Table Management Expanded Batch Processing

  10. AJAX Demo of JChem Web Services JChemSearch Web Service - www.chemaxon.com/ajax

  11. Find out more about JChem Web Services • Product descriptions & links www.chemaxon.com/products/ jchem-web-services/ • Forum www.chemaxon.com/forum/ forum93.html • Presentations and posters www.chemaxon.com/library/ scientific-presentations/ • Download www.chemaxon.com/download/ jchem-web-services/

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