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ChemAxon for Developers Ferenc Csizmadia 2008 November
API and Compatibility <ul><li>Java API ( Marvin GUI  included) </li></ul><ul><li>Marvin Applets  for web applications </li...
Java API <ul><li>Direct manipulation of structures </li></ul><ul><li>Format conversions, name<=>structure, image generatio...
Marvin Applets for Web Applications <ul><li>All relevant browsers (IE, FF, Safari, ...) </li></ul><ul><li>Manipulation fro...
.NET API Over JNBridge <ul><li>Tight integration with .NET </li></ul><ul><li>Full Java API is mirrored in .NET </li></ul><...
Native .NET  S olution  <ul><li>Translating the non-GUI elements to Java binary to .NET binary (using IKVM) </li></ul><ul>...
JChem Cartridge for Oracle <ul><li>API from Oracle SQL </li></ul><ul><li>All features needed for structure handling and se...
SOAP Interface <ul><li>Web services interface to most functionalities </li></ul><ul><li>Bridges to Python, C, Perl, .NET, ...
AJAX  GUI <ul><li>AJAX components for web applications </li></ul><ul><li>Customization using CSS and XSL </li></ul><ul><li...
Instant JChem  for Developers <ul><li>Sharable forms, queries, lists </li></ul><ul><li>URL-s to sharable items -  Demos </...
Integrations <ul><li>Several software vendors integrated ChemAxon components </li></ul><ul><li>Pipeline Pilot </li></ul><u...
<ul><li>Thank you  for your attention ! </li></ul>
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ChemAxon For Developers

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Overview of products, features and interfaces for developing applications, web interfaces and IT platforms with ChemAxon's cheminformatics technology

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Transcript of "ChemAxon For Developers"

  1. 1. ChemAxon for Developers Ferenc Csizmadia 2008 November
  2. 2. API and Compatibility <ul><li>Java API ( Marvin GUI included) </li></ul><ul><li>Marvin Applets for web applications </li></ul><ul><li>.NET API over JNBridge ( Marvin GUI included) </li></ul><ul><li>Native .NET solution under development ( Marvin GUI included) </li></ul><ul><li>API from SQL: JChem Cartridge for Oracle </li></ul><ul><li>SOAP interface (Python, C, .NET, ... over SOAP) under development </li></ul><ul><li>AJAX interface under development ( Marvin GUI included) </li></ul><ul><li>Instant JChem highly configurable + Java API </li></ul><ul><li>Integration: Pipeline Pilot, KNIME, Spotfire, ... </li></ul>
  3. 3. Java API <ul><li>Direct manipulation of structures </li></ul><ul><li>Format conversions, name<=>structure, image generation </li></ul><ul><li>Structure searching with/without DB access </li></ul><ul><li>Standardization of structures </li></ul><ul><li>Property calculations </li></ul><ul><li>Reaction modelling (enumeration) </li></ul><ul><li>Clustering </li></ul><ul><li>Sketcher, 2D/3D viewers (Marvin family) </li></ul><ul><li>Etc </li></ul><ul><li>JChem API </li></ul>
  4. 4. Marvin Applets for Web Applications <ul><li>All relevant browsers (IE, FF, Safari, ...) </li></ul><ul><li>Manipulation from HTML page (from JavaScript) </li></ul><ul><li>Catching drawing events in JavaScript </li></ul><ul><li>Can be used from .NET applications using the web browser control </li></ul><ul><ul><li>Marvin demo </li></ul></ul><ul><ul><li>MarvinSketch Applet Examples </li></ul></ul><ul><ul><li>MarvinView Applet Examples </li></ul></ul><ul><ul><li>MarvinSpace Applet Examples </li></ul></ul>
  5. 5. .NET API Over JNBridge <ul><li>Tight integration with .NET </li></ul><ul><li>Full Java API is mirrored in .NET </li></ul><ul><li>Marvin GUI components are also supported </li></ul>
  6. 6. Native .NET S olution <ul><li>Translating the non-GUI elements to Java binary to .NET binary (using IKVM) </li></ul><ul><li>Building a thin .NET GUI for Marvin and other tools over the core. </li></ul><ul><li>Advantages </li></ul><ul><li>Pure .NET solution, Java is not needed to be installed </li></ul><ul><li>No license issue </li></ul><ul><li>No performance overhead of proxying </li></ul><ul><li>under development </li></ul>
  7. 7. JChem Cartridge for Oracle <ul><li>API from Oracle SQL </li></ul><ul><li>All features needed for structure handling and searching </li></ul><ul><li>Fast searching, insertion, and indexing </li></ul><ul><li>Special features: </li></ul><ul><ul><li>Standardization of structures is tied with structure tables </li></ul></ul><ul><ul><li>Property calculations </li></ul></ul><ul><ul><li>Format conversions, name<=>structure, image generation </li></ul></ul><ul><ul><li>Reaction and Markush based structure enumeration </li></ul></ul><ul><ul><li>Markush libraries in structure tables (coming soon) </li></ul></ul>
  8. 8. SOAP Interface <ul><li>Web services interface to most functionalities </li></ul><ul><li>Bridges to Python, C, Perl, .NET, Java using WSDL </li></ul><ul><li>Enables both remote and local access to ChemAxon functionalities </li></ul><ul><li>under development </li></ul>
  9. 9. AJAX GUI <ul><li>AJAX components for web applications </li></ul><ul><li>Customization using CSS and XSL </li></ul><ul><li>Accesses SOAP interface </li></ul><ul><li>Structure searching, database handling example </li></ul><ul><li>Fast and rich GUI </li></ul><ul><ul><li>Floating windows </li></ul></ul><ul><ul><li>Scrolling through large database without paging </li></ul></ul><ul><li>Marvin Applets are integrated </li></ul><ul><li>under development </li></ul>
  10. 10. Instant JChem for Developers <ul><li>Sharable forms, queries, lists </li></ul><ul><li>URL-s to sharable items - Demos </li></ul><ul><li>Instant JChem API </li></ul>
  11. 11. Integrations <ul><li>Several software vendors integrated ChemAxon components </li></ul><ul><li>Pipeline Pilot </li></ul><ul><li>KNIME (by Infocom) </li></ul><ul><li>Spotfire </li></ul><ul><li>Aureus </li></ul><ul><li>Integrity (Thomson) </li></ul><ul><li>O thers : (Agilent, Tripos, Symyx, Deltasoft, GVK, Wiley, Genedata, Contur, Inforsense, Kinematik, Houghton Mifflin , Kelaroo, Patcore, Cengage, Prentice Hall, Crossfire Beilstein, etc) </li></ul>
  12. 12. <ul><li>Thank you for your attention ! </li></ul>
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