Subject: CCL: extended queries in ChemTK

From: "David Miller" <dmiller.-at-.sageinformatics.com>
Date: Thu, 3 Jul 2003 07:33:59 -0500

ChemTK version 2.5 evaluation is now available for download
> from http://www.chemtk.com

New features include:
  - Logical expression shorthand, allowing queries such as:
        cLogP < 2.0 && Target != "kinase"
        MolWeight <= 500 && ( slq c1ccccc1 || slq n1ccccc1 )
  - Filter new (unseen) molecule data into existing scaffold classes
  - R tables can be stored persistently in ChemTK (*.ctk) files
  - Export of similarity-screening results to ChemTK or text files
  - Columns can be added to, and deleted from, the Class View grid

Visit http://www.chemtk.com to download the ChemTK product sheet,
documentation, and release notes, and to learn more about the
inexpensive licensing terms.

Best regards,

David W. Miller, Ph.D.
Sage Informatics LLC
dmiller.-at-.sageinformatics.com