We are developing software that is
useful to medicinal and computational chemists who may have SAR data to analyze.
SARvision is a simple desktop application for chemistry:
* Identifies
scaffolds (complete substructures)
prevalent in your dataset, up to 10,000 molecules.
* For presentations,
it builds Molecular Lists and R-group tables with little or no effort. You do
not have to spend time orienting molecules in the same way the program does it
for you.
* Allows you to
correlate the scaffolds with other numerical data (biological, physicochemical) you might
have.
SARvision identifies relevant chemical motifs, and organizes available data (physicochemical, biological and
biochemical data) according to those prevalent
substructures, organized from very simple to highly complex. The user can then
quickly select subsets of structures and
create export the data into
applications such as Microsoft Word, as R-group tables or Molecular lists with molecules
oriented in a consistent way.
There is more
information and a demo version of the software at:
http://www.chemapps.com/products.html
If you prefer, I will
be glad to forward you a CD with the program, just let me know. Please let me
know if you would like to see additional information. The program is priced very
attractively and runs with a perpetual license. Feel free to redirect this
e-mail to anybody in your group that may take advantage of the software.
Thanks !