From owner-chemistry@ccl.net Mon Apr 23 10:03:00 2012 From: "Andrew Voronkov drugdesign++yandex.ru" 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 Content-Transfer-Encoding: 7bit Content-Type: text/plain Date: Mon, 23 Apr 2012 16:01:46 +0400 MIME-Version: 1.0 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