July, 2005

This newsletter is to update you on the current developments in the Chiron Computer program. The newest version, 5.0 is available on the Silicon Graphics, the Macintosh and the Windows computers with many new features listed below. 

Aspects of the Chiron program can be seen by clicking on Demonstration

The program documentation is available in pdf format.

Chemistry:

• Routinely updated database of carefully selected non-commercial precursors now totals about 4500.
• Database of the complete ACD compounds (200,000).
• A  separate database of commercial compounds containing more than 15000 starting materials (Aldrich, etc).
• Database of over 1000 compounds used as precursors in medicinal chemistry.
• Selected compounds from Organic Reactions.
• Adaptation to generate chemical diversity and scaffolds for use in combinatorial chemistry
• Enhanced Rapid Scanning of Precursors (RSP) option.
• Cleave and reshape option to relate cyclic precursors to acyclic targets
• A new option which allows you to scan the best precursor combinations for one or more targets (Rapid Scanning of Best Precursors, RSBC).
• A faster search algorithm.
• Possiblility to add your own precursors databases.
• Automatic classification of new precursors for new databases.
• Enhanced scan option.
• New interface with ChemDraw, ISIS draw and Chem-3D connection tables.
• Possibility to remove similar precursors; keeping only the best ones.
• The Postscript precursors search list now contains search parameters.
• Many more improvements...

Graphic Interface:

• New graphic interface using X/Motif libraries.
• Realtime module is now using SGI OpenGL library.

New addendum:

ChemProtect, a new software for the selection of protective groups in synthesis is now available in Chiron. Options include compatibility, deprotection and incompatibility.

Version 5.0 is now ready, so enjoy its many new features.

Contact S. Hanessian at stephen.hanessian@umontreal.ca.