JChem Base

Related links

• Download
• AJAX implementation
• .JSP implementation
• All demo's
• Release notes
• History of Changes
• User Guide
• Developer Guide
• Administrator Guide
• JChem FAQ
• JChem technical introduction
• Brochure
• Technical presentation
• Markush Search add on
• Articles and Presentations
• Chemical Terms

JChem Base is a tool for the development of cheminformatics applications allowing storage and search of structural and non-structural data.

JChem Base can handle molecule, reaction, combinatorial Markush and query structural contents. JChem Base will integrate with a variety of database systems (Oracle, MS SQL Server, DB2, Access, etc) with web interfaces and offers fast substructure, similarity, exact, superstructure and other searches.

Structures are stored in database tables, combining structural and non-structural data. SDF, SMILES, MOL, RDF, CML, and many other file formats are supported. JChem Base also supports ChemAxon's Chemical Terms language to enable complex chemical queries, expressions and rules.

The system includes Marvin, a suite of chemical editor, viewer and visualization tools and graphical user interfaces.

Markush Search add-on allows the registration of generic structures into the database and substructure and exact structure searching in enumerated libraries without enumeration of library members. More information

JChem Base features:

• Sophisticated and efficient search algorithm
• Automatically calculated Chemical Terms columns
• Standardizer integration
• Ready-to-use example web applications using Marvin Applets are included in the distribution
• Advanced features;
  • exact structure, substructure and superstructure matching
  • variable similarity searching including reaction similarity
  • generic query atoms
  • various query properties supported
  • full SMARTS support including recursive SMARTS
  • R-group query expressions
  • reaction queries
  • stereo specific structure and reaction specifications
  • structure canonicalization
  • chemical terms support
  • tautomer search
  • extensive search options