From owner-chemistry@ccl.net Mon May 12 01:14:00 2014 From: "Francois Berenger berenger[-]riken.jp" To: CCL Subject: CCL: First official release of ACPC, a ligand-based virtual screening open source tool Message-Id: <-50078-140512004436-11009-6IPbG7VaWuM1awT/5ehUjA-x-server.ccl.net> X-Original-From: Francois Berenger Content-Transfer-Encoding: 7bit Content-Type: text/plain; charset=ISO-8859-1; format=flowed Date: Mon, 12 May 2014 13:44:20 +0900 MIME-Version: 1.0 Sent to CCL by: Francois Berenger [berenger]-[riken.jp] Dear list, I am very pleased to announce the first official release of ACPC. ACPC is an open source tool for ligand-based virtual screening (a chemoinformatics task), using autocorrelation of partial charges. A very short documentation with some usage examples is available here: https://github.com/UnixJunkie/ACPC/blob/master/README.md The scientific article is freely available here: http://www.jcheminf.com/content/6/1/23/abstract The source code is here: https://github.com/UnixJunkie/ACPC The dataset used to validate the software is here: http://www.riken.jp/zhangiru/\ software/DUD_ACPC_1.0_validation.tar.xz The funny logo was kindly created by my colleague, Dr. Arnout Voet. -- Best regards, Francois Berenger.