From owner-chemistry@ccl.net Mon Apr 23 10:03:00 2012
From: "Andrew Voronkov drugdesign++yandex.ru" <owner-chemistry]![server.ccl.net>
To: CCL
Subject: CCL: free software for calculation of TPSA or PSA for ligands databases
Message-Id: <-46761-120423080200-21235-VbpTwCKsLUDflnEjpc8CtA]![server.ccl.net>
X-Original-From: Andrew Voronkov <drugdesign%a%yandex.ru>
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Date: Mon, 23 Apr 2012 16:01:46 +0400
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Sent to CCL by: Andrew Voronkov [drugdesign[-]yandex.ru]
Dear CCL users, can anyone recommend free software for TPSA calculation where I can load database of ligands, for example several hundreds and ideally get the ranked according PSA. I am using now free Molinspiration server, but there is no file upload option, onl one by one option. Best regards, Andrew