[QSAR] Benchtop modeling

[List for Members of Cheminformatics and QSAR Society]

Dear Henry:

You could submit your data to a server hosted by the Exploratory Center for
Cheminformatics Research at NCSU
(http://eccr.stat.ncsu.edu/ChemModLab/Default.aspx) and get back about 80
different models.

Regards,

=Alex Tropsha=

-----Original Message-----
From: qsar_society-bounces at ccl.net [mailto:qsar_society-bounces at ccl.net] On
Behalf Of List for Members of Cheminformatics and QSAR Society
Sent: Tuesday, December 11, 2007 5:16 PM
To: qsar at qsar.org
Subject: [QSAR] Benchtop modeling

I am looking for what is probably not possible. 

 

We have a small collection (<1000) of compounds with biological activity
and known heterocyclic structures of 400-600 g/mole and want to do some
SAR, but do not have the budget for COMFA or the like. 

 

Any suggestions?

 

Thanks

 

Henry R. Wolfe, Ph.D.
Chief Scientific Officer and 
Executive Vice President
Genaera Corporation
5110 Campus Drive
Plymouth Meeting, Pa.
hwolfe at genaera.com
(610) 941-5268   Office
(610) 941-5399   FAX
(610) 304-1844   Mobile

 

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