From chemistry-request@ccl.net Sun Nov 30 01:12:44 2003 Received: from ccl.net (email.ccl.net [192.148.249.4]) by server.ccl.net (8.12.8/8.12.8) with ESMTP id hAU6CDNL032352 for ; Sun, 30 Nov 2003 01:12:13 -0500 Received: from arlen.ccl.net (arlen.ccl.net [192.148.249.10]) by ccl.net (8.12.8/8.12.8/OSC 3.0) with ESMTP id hAU6Asjm004034; Sun, 30 Nov 2003 01:10:54 -0500 Date: Sun, 30 Nov 2003 01:10:53 -0500 (EST) From: Jan Labanowski To: chemistry!at!ccl.net cc: Jan Labanowski Subject: ADMET-1 Conference Update, Feb 11-13, San Diego, CA Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, hits=0.0 required=7.0 tests=USER_AGENT_PINE version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Please plan to attend the ADMET-1 Conference. ADMET-1 will be held February 11-13, 2004 in San Diego, California. For more information, see the Conference URL: http://www.scherago.com/admet ADMET-1 will be an international meeting bringing together leaders in the computational and experimental areas of ADMET. The meeting will consist of invited lectures, poster talks, as well as scientific and vendor workshop presentations. The lectures will focus on theory and application of both computational and experimental ADMET approaches. In addition, lecturers will be asked to mention explicitly how they handle structural diversity and noisy data characteristic of ADMET problems. The Conference organizer, Scherago International, is sponsoring ADMET STUDENT TRAVEL GRANT AWARDS of $250 each. This year there will be four (4) travel grants. The deadline for applying for these ADMET travel grants is the same as the poster submission deadline: December 5, 2003. Students who receive travel grant awards will also receive their registration fee paid for by Scherago International. Undergraduate and Graduate students who wish their posters to be considered for the ADMET Student Travel Grant awards must first submit their abstract online via the web submission form and then send an e-mail to Professor Tony Hopfinger, University of Illinois at Chicago, USA (hopfingr.edu) with the following information: 1. Name 2. Title of Poster paper submitted 3. E-mail address 4. Phone number The four (4) students will received the travel grants (and complimentary registration) be notified by the end of December 2003. --------------------------------------------------------------------- ADMET-1 Conference February 11-13, 2004 Town & Country Hotel San Diego, California http://www.scherago.com/admet Co-Organizers: - Steve Heller, NIST, USA (srheller.gov) - Tony Hopfinger, University of Illinois at Chicago, USA (hopfingr.edu) Organizing Committee: Susan Bassett, Bioreason, USA; Kevin Geiss, Wright-Patterson Air Force Base, USA; Osman Guner, Accelyrs, USA; Peter Gund, IBM Life Sciences Pharmaceutical R&D Solutions, USA; Philip Judson, LHASA/University of Leeds, UK; Daniel A Kleier, Dupont, USA; D.J. Livingstone, ChemQuest, UK; Edward Matthews, Food & Drug Administration, USA; Donna Morrall, Proctor & Gamble, USA; Ann M Richard, US Environmental Protection Agency, USA; Patrick Sinko, Rutgers, The State University of New Jersey, USA; Sung-Sau So, Hoffmann-La Roche, USA; Ikumi Tamai, Tokyo University of Science; Gil Veith, US Environmental Protection Agency, USA; David A. Winkler, CSIRO Molecular Science, Australia; Antony Williams, ACD/Labs, Canada; Chihae Yang, Leadscope, USA. Session Topics: - Computational Toxicology - Computational Metabolism/Excretion - Experimental ADMET - Computational Absorption/Distribution Other Sessions, Technical Workshops and Exhibitors: (as of October 2003) - There will also be scientific workshops on Tox-ML and the Predictive Metabolism/Toxicology Consortium - Workshops/Exhibitors: Accelyrs, ACDLabs, Bio-Rad, LHASA, LION, MDL, Simulations-Plus, Tryverse, Leadscope, Prous Science Speakers: Gordon Amidon (University of Michigan), Johnny Gasteiger (University of Erlangen, Germany), Edwin J. Matthews (Food & Drug Administration, USA), Ann Richard (US Environmental Protection Agency, USA), Philip Lee (Dupont, USA), Daniel A. Norris (LION Bioscience, USA), Akira Tsuji (Kanazawa University, Japan), Mike H Abraham (University College London, England), William J. Egan (Vertex Pharmaceuticals, USA), Dhiren Thakker (University of North Carolina, USA) Student Travel Grants will be available, see http://www.scherago.com/admet Registration Fees: Students : $200 University/Government: $300 Industry : $400 A registration form can be downloaded from: http://www.intl-pag.org/admet/1/forms/admet1.doc --------------------------------------------------------------------- SCHERAGO INTERNATIONAL - 11 Penn Plaza, Ste 1003, New York, NY 10001 Tel: 1-212-643-1750 ext. 20 / Fax: 1-212-643-1758 Email: admet.com / Website: www.scherago.com/admet --------------------------------------------------------------------- From chemistry-request@ccl.net Sun Nov 30 08:39:54 2003 Received: from web15404.mail.cnb.yahoo.com (web15404.mail.cnb.yahoo.com [202.43.216.207]) by server.ccl.net (8.12.8/8.12.8) with SMTP id hAUDdKNL026218 for ; Sun, 30 Nov 2003 08:39:22 -0500 Message-ID: <20031130133916.23767.qmail!at!web15404.mail.cnb.yahoo.com> Received: from [218.244.228.118] by web15404.mail.cnb.yahoo.com via HTTP; Sun, 30 Nov 2003 21:39:16 CST Date: Sun, 30 Nov 2003 21:39:16 +0800 (CST) From: =?gb2312?q?Jinsong=20Zhao?= Subject: CCL: question about the form of LSER To: CCL MIME-Version: 1.0 Content-Type: text/plain; charset=gb2312 Content-Transfer-Encoding: 8bit X-Spam-Status: No, hits=0.1 required=7.0 tests=DATE_IN_PAST_12_24 version=2.55 X-Spam-Checker-Version: SpamAssassin 2.55 (1.174.2.19-2003-05-19-exp) Dear all, Becuase I can not find the original paper to give me a confirm on the correct form of LSER developed by Kamlet and Taft, I have to ask for your help. In the paper titled "Linear free energy relationships using quantum mechanical descriptors" published in Reviews in Computational Chemistry 2002, 18, 211-255, by Famini and Wilson, the LSER is given as following: P=mV_{x2}+s(\pi_2^*-d\delta)+a\alpha_2+b\beta_2+P_0 Here, the subscript 2 refers to solute parameters. However, as you will note that the \delta does not have the subscript 2. I wonder whether the original form of LSER does not have the subscript 2 or just the latter authors make a mistake. Thank you very much for your help on this matter. Best wishes, Jinsong ===== (Mr.) Jinsong Zhao Ph.D. Candidate School of the Environment Nanjing University No.22 Hankou Road, Najing 210093 P.R. China E-mail: zh_jinsong!at!yahoo.com.cn __________________________________________________ Do You Yahoo!? Tired of spam? Yahoo! Mail has the best spam protection around http://mail.yahoo.com