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 and superstructure search.
Structures are stored in database tables, combining structural and
non-structural data. SDF, SMILES, RDF, CML, etc. can be imported
and exported. JChem Base also supports ChemAxon's Chemical Terms language to enable complex chemical queries, expressions and rules.
The system includes Marvin, a Java based chemical editor and viewer.
- 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 query 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
Related links