From chemistry-request@server.ccl.net Mon Jul 12 16:23:00 1999 Received: from unet.univie.ac.at (unet.univie.ac.at [131.130.230.7]) by server.ccl.net (8.8.7/8.8.7) with ESMTP id QAA22498 for ; Mon, 12 Jul 1999 16:23:00 -0400 Received: from brain (uvo-84.univie.ac.at [131.130.230.84]) by unet.univie.ac.at (8.8.8/8.8.7) with ESMTP id WAA129370 for ; Mon, 12 Jul 1999 22:16:32 +0200 Received: from 192.168.0.1 by brain ([192.168.0.1] running VPOP3) with SMTP for ; Mon, 12 Jul 1999 22:12:46 +0200 Message-ID: <000501becca2$e8159790$0100a8c0@brain> Reply-To: "Alexander Klinsky" From: "Alexander Klinsky" To: Subject: SQ Program questions Date: Mon, 12 Jul 1999 22:12:46 +0200 MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 8bit X-Priority: 3 X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook Express 5.00.2014.211 X-MimeOLE: Produced By Microsoft MimeOLE V5.00.2014.211 X-Server: VPOP3 V1.3.1 - Registered to: Lukundoo [HPA] Dear Colleaques ! I have two questions: First: Does someone know about the SQ (molecular alignment) algorithm by Miller, Sheridan and Kearsley published in the May issue of J. Med. Chem. of 1999 ? In particular i would like to know if this algorthm is available as a program and where/or how to obtain it. Second: Is there a program freely available to calculate atomic lipophilicity constants based on fragment lipophilicity contributions ? Kind regards, Alexander Klinsky Institute of Theoretical Chemistry Department of Applied Theoretical Biochemistry University of Vienna Währinger Strasse 17, A-1090 Wien Österreich