ChemAxon for Developers Ferenc Csizmadia 2008 November

API and Compatibility Java API ( Marvin GUI included) Marvin Applets for web applications .NET API over JNBridge ( Marvin GUI included) Native .NET solution under development ( Marvin GUI included) API from SQL: JChem Cartridge for Oracle SOAP interface (Python, C, .NET, ... over SOAP) under development AJAX interface under development ( Marvin GUI included) Instant JChem highly configurable + Java API Integration: Pipeline Pilot, KNIME, Spotfire, ...

Java API ( Marvin GUI included)

Marvin Applets for web applications

.NET API over JNBridge ( Marvin GUI included)

Native .NET solution under development ( Marvin GUI included)

API from SQL: JChem Cartridge for Oracle

SOAP interface (Python, C, .NET, ... over SOAP) under development

AJAX interface under development ( Marvin GUI included)

Instant JChem highly configurable + Java API

Integration: Pipeline Pilot, KNIME, Spotfire, ...

Java API Direct manipulation of structures Format conversions, name<=>structure, image generation Structure searching with/without DB access Standardization of structures Property calculations Reaction modelling (enumeration) Clustering Sketcher, 2D/3D viewers (Marvin family) Etc JChem API

Direct manipulation of structures

Format conversions, name<=>structure, image generation

Structure searching with/without DB access

Standardization of structures

Property calculations

Reaction modelling (enumeration)

Clustering

Sketcher, 2D/3D viewers (Marvin family)

Etc

JChem API

Marvin Applets for Web Applications All relevant browsers (IE, FF, Safari, ...) Manipulation from HTML page (from JavaScript) Catching drawing events in JavaScript Can be used from .NET applications using the web browser control Marvin demo MarvinSketch Applet Examples MarvinView Applet Examples MarvinSpace Applet Examples

All relevant browsers (IE, FF, Safari, ...)

Manipulation from HTML page (from JavaScript)

Catching drawing events in JavaScript

Can be used from .NET applications using the web browser control

Marvin demo

MarvinSketch Applet Examples

MarvinView Applet Examples

MarvinSpace Applet Examples

.NET API Over JNBridge Tight integration with .NET Full Java API is mirrored in .NET Marvin GUI components are also supported

Tight integration with .NET

Full Java API is mirrored in .NET

Marvin GUI components are also supported

Native .NET S olution Translating the non-GUI elements to Java binary to .NET binary (using IKVM) Building a thin .NET GUI for Marvin and other tools over the core. Advantages Pure .NET solution, Java is not needed to be installed No license issue No performance overhead of proxying under development

Translating the non-GUI elements to Java binary to .NET binary (using IKVM)

Building a thin .NET GUI for Marvin and other tools over the core.

Advantages

Pure .NET solution, Java is not needed to be installed

No license issue

No performance overhead of proxying

under development

JChem Cartridge for Oracle API from Oracle SQL All features needed for structure handling and searching Fast searching, insertion, and indexing Special features: Standardization of structures is tied with structure tables Property calculations Format conversions, name<=>structure, image generation Reaction and Markush based structure enumeration Markush libraries in structure tables (coming soon)

API from Oracle SQL

All features needed for structure handling and searching

Fast searching, insertion, and indexing

Special features:

Standardization of structures is tied with structure tables

Property calculations

Format conversions, name<=>structure, image generation

Reaction and Markush based structure enumeration

Markush libraries in structure tables (coming soon)

SOAP Interface Web services interface to most functionalities Bridges to Python, C, Perl, .NET, Java using WSDL Enables both remote and local access to ChemAxon functionalities under development

Web services interface to most functionalities

Bridges to Python, C, Perl, .NET, Java using WSDL

Enables both remote and local access to ChemAxon functionalities

under development

AJAX GUI AJAX components for web applications Customization using CSS and XSL Accesses SOAP interface Structure searching, database handling example Fast and rich GUI Floating windows Scrolling through large database without paging Marvin Applets are integrated under development

AJAX components for web applications

Customization using CSS and XSL

Accesses SOAP interface

Structure searching, database handling example

Fast and rich GUI

Floating windows

Scrolling through large database without paging

Marvin Applets are integrated

under development

Instant JChem for Developers Sharable forms, queries, lists URL-s to sharable items - Demos Instant JChem API

Sharable forms, queries, lists

URL-s to sharable items - Demos

Instant JChem API

Integrations Several software vendors integrated ChemAxon components Pipeline Pilot KNIME (by Infocom) Spotfire Aureus Integrity (Thomson) O thers : (Agilent, Tripos, Symyx, Deltasoft, GVK, Wiley, Genedata, Contur, Inforsense, Kinematik, Houghton Mifflin , Kelaroo, Patcore, Cengage, Prentice Hall, Crossfire Beilstein, etc)

Several software vendors integrated ChemAxon components

Pipeline Pilot

KNIME (by Infocom)

Spotfire

Aureus

Integrity (Thomson)

O thers : (Agilent, Tripos, Symyx, Deltasoft, GVK, Wiley, Genedata, Contur, Inforsense, Kinematik, Houghton Mifflin , Kelaroo, Patcore, Cengage, Prentice Hall, Crossfire Beilstein, etc)

Thank you for your attention !

Thank you for your attention !