ICCHECK

ICCHECK is a chemical verification tool that analyzes, validates and standardizes chemical structures for database registration. The user may define standardization rules in an XML configuration file.
This module allows batch processing of SD and RDfiles using a command line based interface.

ICCHECK functionalities

• Check and correction (alias atoms, molecular charge, valence state, drawing and stereo-
  chemical errors)
• Standardization (charge separations, p-systems, functional groups)

System requirements

• Recommended Hardware: Pentium III or compatible CPU (32 or 64 bit), Sun SPARC II or higher
• Operating System: Microsoft Windows 2000/XP/2003 Server, Solaris 8 or higher, Linux SLES 8/RHEL 2 or higher

Further Information

•   More information about Standardization Rules (pdf-file, 0,6 MB)
• Request more information
• Quote request

Last modification: June 26, 2007.