ICCARTRIDGE

InfoChem's Chemistry Cartridge ICCARTRIDGE is a powerful software package designed to integrate chemical structure and reaction retrieval into relational databases.
The application uses ICFSE InfoChem's high performance search engine to handle and search millions of structures and reactions.

Newly defined and specific SQL operators offer a variety of query features for searching of chemical structures and reactions:

• exact structure and reaction search
• molecule and reaction substructure search
• sophisticated chemical formula searching
• exact reaction searches for reactants and products
• sophisticated reaction searching support (CLASSIFY)
• ...

Version 2.4.0 of ICCARTRIDGE has been launched in May 2007. Important new features such as similarity search, new operators for structures and reactions, and support of SMILES format for molecules have been added. Furthermore the performance has been substancially enhanced. Click here to download the entire comparison report.
Click here to see a complete version history.

How does it work?

ICCARTRIDGE takes advantage of Oracle's basic technologies and security standards:

• transaction / data security
• common data access via JDBC, ODBC, ADO, OCI

by integrating structural information, and numerical and textual data in a relational data model.
Based on the standard SQL syntax, ICCARTRIDGE introduces extended SQL commands to access your chemistry data.

System Requirements

Hardware:

• Windows/Linux: Pentium III or higher (> 1 GHz recommended); SUN Solaris: SPARC (> 700 MHz recommended)
• 512 MB additional RAM per million structures
• 800 MB additional RAM per million reactions
• 4 GB free disk space per million structures/reactions

Software:

• Operating Systems: Windows 2000/XP/2003 Server, Sun Solaris 7 or higher (32 and 64 Bit), Linux SLES 8 (32 and 64 Bit)
• ORACLE: 9.2.0.1 (64 bit for SUN Solaris 64 bit), 10.1.0.2 (64 bit for SUN Solaris 64 bit)

Further Information

•   More information about ICCARTRIDGE (pdf-file, 0,4 MB)
• Request more information
• Quote request

Version history

New in Version 2.4.0

GENERAL:

• User defined sort key functionality for Index creation

MOLECULES:

• Support of SMILE format
• New operator for inverse substructure search: ISSS
• New exact operator for components: CompXSS
• New similarity operator: MSIMFP
• New iccart.Functions: getSimilarityFP

REACTIONS:

• Support of half reaction searches
• RSS maintenance and optimization:
     - amibiguous mapping, map multiple reactants, AAMap V5.0
     - performance
• New RSS operator for exact reaction type:
   RXCCLUSTER_BROAD, RXCCLUSTER_MEDIUM, RXSCCLUSTER_NARROW
• New Reaction Center Cluster search operators:
   RTS_BROAD, RTS_MEDIUM, RTS_NARROW
• New iccart.Functions: getReactionType

New in Version 2.3.0

GENERAL:

• Support of BLOB datatype
• Configurable normalizing tool on request
• Customizable pending search

MOLECULES:

• Change of XSS operator:
    query with stereo information finds now absolute and relative stereo chemistry
• New iccart.Functions:
    - readMolFile
    - highlightSSSinMol

REACTIONS:

• New exact operators: IXRS, IXRSUB, IXRSRCT, IXRSPRD
• New iccart.Functions:
    - readRxnFile
    - highlightRSSinRxn
    - exportRDfile

New in Version 2.2.0

• Extended atom limit 999, bond limit 1050
• Total number of atoms in reactions 2000/20000
• Sum formula search
• Win 32 bit version: no record limit (2 GB limit)

Last modification: May 23, 2007.