From chemistry-request |-at-| server.ccl.net Sun Mar 5 09:58:37 2000 Received: from anchor-post-33.mail.demon.net (anchor-post-33.mail.demon.net [194.217.242.91]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id JAA21322 for ; Sun, 5 Mar 2000 09:58:36 -0500 Received: from chmqst.demon.co.uk ([158.152.83.101] helo=daisy) by anchor-post-33.mail.demon.net with esmtp (Exim 2.12 #1) id 12RbTT-0000Ox-0X; Sun, 5 Mar 2000 13:53:35 +0000 From: "David Livingstone" Organization: ChemQuest To: Daniel Severance Date: Sun, 5 Mar 2000 13:53:27 +0100 MIME-Version: 1.0 Content-type: text/plain; charset=US-ASCII Content-transfer-encoding: 7BIT Subject: Re: CCL:QSTR Reply-to: davel -A_T- chmqst.demon.co.uk CC: chemistry ^at^ server.ccl.net X-Confirm-Reading-To: davel-: at :-chmqst.demon.co.uk X-pmrqc: 1 Priority: normal In-reply-to: <15189A4705A8D31189B700805F85410B1D805E-!at!-sdnt1> X-mailer: Pegasus Mail for Win32 (v3.12a) Message-Id: Hi Daniel, > Hi, > Is there a standard data set that people use for generating models to > predict QSTR (Quantitative Structure Toxicity Relationships)? If so, where > does one get this data? The nearest thing you will find to a standard set (as far as I know) is any published set where the data is listed or the source acknowledged. There are various databases more or less publicly available but no recognised "standard" sets. > I'm also interested in information on QSPR (Property Relationships) and > datasets for that (Solubility, Permeability, etc.). Again, as far as I know, the same situation holds for QSPR sets. There are some QSAR datasets posted on the QSAR and Modelling Society website: http://www.pharma.ethz.ch/qsar/ I hope this helps. Dave. ------------------------------------------------------------------ D.J. Livingstone ChemQuest Delamere House, 1 Royal Crescent, Sandown. Isle of Wight UK PO36 8LZ Phone & Fax: +44 (0)1983 401793 e-mail davel \\at// chmqst.demon.co.uk http://www.chmqst.demon.co.uk ------------------------------------------------------------------