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Date: Tue, 31 Aug 1999 16:54:06 +1000
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From: "Dr. Dave Winkler" <Dave.Winkler[ AT ]molsci.csiro.au>
Subject: Summary of large QSAR dataset question reponses

Here is a summary of responses to my question on the availability of large
(>1000 compound) QSAR data sets:

o  Yvonne Martin (yvonne.c.martin- at -abbott.com) has a ~1500 data set of MAO
inhibitors available if a confidentiality agreement is signed
o  Several people (Marc Nicklaus (mn1 ":at:" helix.nih.gov), Wolf-Dietrich
Ihlenfeldt (Wolf-Dietrich.Ihlenfeldt "-at-" ccc.chemie.uni-erlangen.de)) mentioned
the archive of structures and cancer and HIV data available at the NIH/NCI
site or the  Enhanced NCI Database Browser
(http://www2.ccc.uni-erlangen.de/ncidb/ or the US mirror)
o  Michael K. Gilson" <gilson /at\carb.nist.gov> is in the early stages of
creating a web-accessible database of noncovalent binding affinities.
o  Two commercial interests provided details of their databases: Kevin P.
Cross" <kcross&$at$&columbus.rr.com> of Columbus Molecular Software had sets of
NCI data for sale in conjunction with the LeadScope Software; Al Leo
<aleo -x- at -x- clogp.pomona.edu> from Pomona College gave details of C-QSAR and
associated QSAR databases.
o  Suzanne Sirois <siroiss -A_T- cerca.umontreal.ca> suggested the QSAR Society
site at http://www.pharma.ethz.ch/qsar/ however this has only small QSAR
data sets.

Cheers,

Dave

Dr. David A. Winkler                    Email: dave.winkler /at\molsci.csiro.au
Senior Principal Research Scientist     Voice: 61-3-9545-2477
CSIRO Molecular Science			Fax:   61-3-9545-2446
Private Bag 10,Clayton South MDC 3169   http://www.csiro.au
Australia 	        		http://www.molsci.csiro.au