From chemistry-request@ccl.net Tue Apr 12 06:24:27 2005 Received: from 26.mail-out.ovh.net (26.mail-out.ovh.net [213.186.42.179]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j3CAOLaN002772 for ; Tue, 12 Apr 2005 06:24:22 -0400 Received: (qmail 7876 invoked by uid 503); 12 Apr 2005 08:58:12 -0000 Received: from b6.ovh.net (HELO mail139.ha.ovh.net) (213.186.33.56) by 26.mail-out.ovh.net with DES-CBC3-SHA encrypted SMTP; 12 Apr 2005 08:58:12 -0000 Received: from b0.ovh.net (HELO queue-out) (213.186.33.50) by b0.ovh.net with SMTP; 12 Apr 2005 08:58:13 -0000 Received: from mail139.ha.ovh.net (10.0.50.139) by mail139.ha.ovh.net with DES-CBC3-SHA encrypted SMTP; 12 Apr 2005 08:58:13 -0000 Received: from b0.ovh.net (HELO queue-pre) (213.186.33.50) by b0.ovh.net with SMTP; 12 Apr 2005 08:58:13 -0000 Received: from avelizy-110-1-4-195.w81-48.abo.wanadoo.fr (HELO bastia) (81.48.195.195) by ns0.ovh.net with SMTP; 12 Apr 2005 08:58:13 -0000 From: "Xavier" To: Subject: CCL: atomic hydrophobicity Date: Tue, 12 Apr 2005 11:02:14 +0200 Message-ID: <000b01c53f3e$52ce2110$0100000a~at~nautilusbiotech.lcl> MIME-Version: 1.0 Content-Type: text/plain; charset="iso-8859-1" Content-Transfer-Encoding: 8bit X-Priority: 3 (Normal) X-MSMail-Priority: Normal X-Mailer: Microsoft Outlook CWS, Build 9.0.2416 (9.0.2911.0) Importance: Normal X-MimeOLE: Produced By Microsoft MimeOLE V6.00.2800.1441 X-Ovh-Remote: 81.48.195.195 (avelizy-110-1-4-195.w81-48.abo.wanadoo.fr) X-Ovh-Local: 213.186.33.20 (ns0.ovh.net) X-Spam-Check: fait|type 1&3|0.0|H 0.500245 X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.1 X-Spam-Checker-Version: SpamAssassin 3.0.1 (2004-10-22) on server.ccl.net Dear CCLers, Could someone provide me one or sevaral tables of atomic hydrophobicity (or lipophilicity) values for each atom type. I know several tables are described in papers from Crippen/Ghose, Fauchhre, Broto, etc... but most of those articles are old and not available to me. Moreover, no such tables seem to be available on the web. Thank in advance, Xavier GALLET From chemistry-request@ccl.net Mon Apr 11 22:52:41 2005 Received: from vic-ironport-ext-out2.csiro.au (vic-ironport-ext-out2.csiro.au [150.229.64.38]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j3C2qV9V013233 for ; Mon, 11 Apr 2005 22:52:32 -0400 Received: from exgw1-mel.nexus.csiro.au (138.194.3.56) by vic-ironport-ext-out2.csiro.au with ESMTP; 12 Apr 2005 11:21:33 +1000 X-BrightmailFiltered: true X-Brightmail-Tracker: AAAAAQAAA+k= X-IronPort-AV: i="3.92,95,1112536800"; d="scan'208,217"; a="33424787:sNHT49715140" Received: from [138.194.51.27] ([138.194.51.27]) by exgw1-mel.nexus.csiro.au with Microsoft SMTPSVC(5.0.2195.6713); Tue, 12 Apr 2005 11:21:33 +1000 Mime-Version: 1.0 Message-Id: Date: Tue, 12 Apr 2005 11:21:28 +1000 To: chemistry~at~ccl.net From: Dave Winkler Subject: Complex systems science and drug discovery at Pacifichem 2005 Content-Type: multipart/alternative; boundary="============_-1098853603==_ma============" X-OriginalArrivalTime: 12 Apr 2005 01:21:33.0287 (UTC) FILETIME=[F67B9770:01C53EFD] X-Spam-Status: No, score=-3.8 required=5.0 tests=DNS_FROM_RFC_WHOIS, HTML_30_40,HTML_MESSAGE,RCVD_IN_BSP_TRUSTED autolearn=failed version=3.0.1 X-Spam-Checker-Version: SpamAssassin 3.0.1 (2004-10-22) on server.ccl.net --============_-1098853603==_ma============ Content-Type: text/plain; charset="iso-8859-1" ; format="flowed" Content-Transfer-Encoding: quoted-printable Pacifichem 2005 Honolulu, Hawaii December 15-20 2005 http://www.pacifichem.org Abstract submissions close at COB 13 April US ET Symposium on Complexity and other Computational Methods in Drug Design This symposium, one of approximately 350 that=20 form the Pacifichem congress, explores how=20 complex systems science can provide an=20 alternative paradigm for understanding chemical=20 and biological systems relevant to drug design.=20 Papers submitted to date include... John Finnigan (CSIRO, Australia) Complex Systems, Chemistry and Biology David Winkler (CSIRO, Australia) Modelling=20 Emergent Properties Of Complex Biological And=20 Chemical Systems Dimitris Agrafiotis (J&J, USA) A self-organizing=20 principle for modeling proximity data Gerry Maggiora (Uni of Arizona, USA) Applications=20 of rough set theory in drug-discovery research Bernard Testa (Uni Hospital Centre, Switzerland)=20 Computational explorations of the property space=20 of biomolecules Tim Clark (Uni of Erlangen, Germany) Molecular=20 surface properties: What are they trying to tell=20 us? =46rank Burden (Scimetrics, Australia) The=20 Application of Agent Based Modelling to Chemical=20 and Biological Problems Tatsuya Takagi (Osaka Uni, Japan) Development of=20 a simple nonparametric regression method Yuzong Chen (National Uni Singapore) Machine=20 Learning Methods in Facilitating the Prediction=20 of Drug ADME and Toxicological Properties Monty Kier (Virginia Commonwealth Uni, USA) A=20 theory of ligand passage through hydrodynamic=20 chreodes modeled with cellular automata. Val Gillett (Uni of Sheffield, UK) Application of=20 Multiobjective Evolutionary Optimisation=20 Techniques to Pharmacophore Identification Tudor Oprea (Uni New Mexico, USA) Rapid=20 evaluation of synthetic and molecular complexity=20 for lead discovery Martyn Ford (Portsmouth Uni, UK) Analysis of the=20 Molecular Dynamics of Simple and Complex Systems=20 for Predictive Biology John Gasteiger (Uni of Erlangen, Germany)=20 Analyzing Biochemical Pathways by Neural Networks=20 and Genetic Algorithms Jean-Fran=E7ois Truchon (Merck, Canada) Designing=20 good combinatorial libraries: throwing out the=20 trash instead of sorting through the trash Peter Stadler (Leipzig Uni, Germany) Generalized=20 Topological Spaces in Evolutionary Theory and=20 Combinatorial Chemistry Nigel Richards (Uni of Florida, USA)=20 Structure-based discovery of asparagine=20 synthetase inhibitors as agents for the clinical=20 treatment of asparaginase-resistant leukemias Greg Dewey (Keck Inst) Complexity in biology Hideaki Suzuki Biologically-mimetic computing Yuan-Ping Pang (Mayo Clinic) Holistic approach to=20 small-molecule inhibitors of the zinc=20 endopeptidase of botulinum neurotoxin serotype A Max Dang (Metabasis Therapeutics, USA) Discovery=20 of FBPase inhibitors using a rational drug design Arvydas Tamulis (Vilnius University, Lithuania)=20 Quantum Mechanical Modeling of Self-Reproducible=20 Living PNA Chip Immersed in the Lipid Bilayer=20 Vesicle Controlled by Quantum Computing Logic=20 Gates Mitch Polley (CSIRO, Australia) Virtual Library=20 Design of Drug-Like Molecules Using Evolutionary=20 Methods and Compound Fitness Functions Seymour B. Elk (Elk Tech Assoc. USA) Chemical=20 simplexes - a function of dimension developing a=20 more efficient system of taxonomy and nomenclature Julianne Halley (Monash Uni, Australia)=20 Self-organization as a source of collective=20 intelligence Darryl Jones (Flinders Uni, Australia) Momentum=20 Space Descriptors for Quantitative=20 Structure-Activity Relationships Kato, Hiroaki (Toyohashi Uni Technology, Japan)=20 Three-dimensional protein structural data mining=20 based on the glycine filter reduced representation Stefano Moro (Uni Padova, Italy)) Integrated=20 ligand and receptor-based strategies to discover=20 new GPCR ligands: the human A3 adenosine receptor=20 as a key study. Sergey Bachurin (Inst Physiolog Active Compounds,=20 Russia) Computational approaches to synthetic=20 design, discovery and development of new=20 neuroactive glutamate receptor ligands Hiroshi Chuman (Toyohashi Uni Technology, Japan)=20 Connecting Traditional QSAR and Molecular=20 Simulations - Structure Based Quantitative=20 Structure-Activity Relationship of Papain and=20 HIV-1-Protease Inhibitors -- Cheers, Dave Dr. David A. Winkler FRACI CChem CPChem Email: dave.winkler~at~csiro.au CSIRO Centre for Complexity in Drug Design Voice: 61-3-9545-2477 Senior Principal Research Scientist Fax: 61-3-9545-2561 CSIRO Molecular Science or 61-3-9545-2446 Private Bag 10,Clayton South MDC 3169 http://www.csiro.au Australia http://www.molsci.csiro.au Join us at CONNECT2005=20 (http://www.pco.com.au/connect2005/) 3-7 July=20 2005, the Royal Australian Chemical Institute's=20 National Convention, the 11th Asian Chemical=20 Congress in Seoul, August 24-26 2005=20 (http://www.11acc.org/), and Pacifichem 2005 in=20 Honolulu December 15-20=20 (http://www.pacifichem.org). -- Cheers, Dave Dr. David A. Winkler FRACI CChem CPChem Email: dave.winkler~at~csiro.au CSIRO Centre for Complexity in Drug Design Voice: 61-3-9545-2477 Senior Principal Research Scientist Fax: 61-3-9545-2561 CSIRO Molecular Science or 61-3-9545-2446 Private Bag 10,Clayton South MDC 3169 http://www.csiro.au Australia http://www.molsci.csiro.au Join us at CONNECT2005=20 (http://www.pco.com.au/connect2005/) 3-7 July=20 2005, the Royal Australian Chemical Institute's=20 National Convention, the 11th Asian Chemical=20 Congress in Seoul, August 24-26 2005=20 (http://www.11acc.org/), and Pacifichem 2005 in=20 Honolulu December 15-20=20 (http://www.pacifichem.org). --============_-1098853603==_ma============ Content-Type: text/html; charset="iso-8859-1" Content-Transfer-Encoding: quoted-printable Complex systems science and drug discovery at Pacifichem 2

Pacifichem 2005
Honolulu, Hawaii
December 15-20 2005
http://www.pacifichem.org

Abstract submissions close at COB 13 April US ET

Symposium on Complexity and other Computational Methods in Drug Design

This symposium, one of approximately 350 that form the Pacifichem congress, explores how complex systems science can provide an alternative paradigm for understanding chemical and biological systems relevant to drug design.  Papers submitted to date include...

  • John Finnigan (CSIRO, Australia) Complex Systems, Chemistry and Biology
  • David Winkler (CSIRO, Australia) Modelling Emergent Properties Of Complex Biological And Chemical Systems
  • Dimitris Agrafiotis (J&J, USA) A self-organizing principle for modeling proximity data
  • Gerry Maggiora (Uni of Arizona, USA) Applications of rough set theory in drug-discovery research
  • Bernard Testa (Uni Hospital Centre, Switzerland) Computational explorations of the property space of biomolecules
  • Tim Clark (Uni of Erlangen, Germany) Molecular surface properties: What are they trying to tell us?
  • Frank Burden (Scimetrics, Australia) The Application of Agent Based Modelling to Chemical and Biological Problems
  • Tatsuya Takagi (Osaka Uni, Japan) Development of a simple nonparametric regression method
  • Yuzong Chen (National Uni Singapore) Machine Learning Methods in Facilitating the Prediction of Drug ADME and Toxicological Properties
  • Monty Kier (Virginia Commonwealth Uni, USA) A theory of ligand passage through hydrodynamic chreodes modeled with cellular automata.
  • Val Gillett (Uni of Sheffield, UK) Application of Multiobjective Evolutionary Optimisation Techniques to Pharmacophore Identification
  • Tudor Oprea (Uni New Mexico, USA)       Rapid evaluation of synthetic and molecular complexity for lead discovery
  • Martyn Ford (Portsmouth Uni, UK) Analysis of the Molecular Dynamics of Simple and Complex Systems for Predictive Biology
  • John Gasteiger (Uni of Erlangen, Germany) Analyzing Biochemical Pathways by Neural Networks and Genetic Algorithms
  • Jean-Fran=E7ois Truchon (Merck, Canada) Designing good combinatorial libraries: throwing out the trash instead of sorting through the trash
  • Peter Stadler (Leipzig Uni, Germany) Generalized Topological Spaces in Evolutionary Theory and Combinatorial Chemistry
  • Nigel Richards (Uni of Florida, USA) Structure-based discovery of asparagine synthetase inhibitors as agents for the clinical treatment of asparaginase-resistant leukemias
  • Greg Dewey (Keck Inst) Complexity in biology
  • Hideaki Suzuki Biologically-mimetic computing
  • Yuan-Ping Pang (Mayo Clinic) Holistic approach to small-molecule inhibitors of the zinc endopeptidase of botulinum neurotoxin serotype A
  • Max Dang (Metabasis Therapeutics, USA) Discovery of FBPase inhibitors using a rational drug design
  • Arvydas Tamulis (Vilnius University, Lithuania) Quantum Mechanical Modeling of Self-Reproducible Living PNA Chip Immersed in the Lipid Bilayer Vesicle Controlled by Quantum Computing Logic Gates
  • Mitch Polley (CSIRO, Australia) Virtual Library Design of Drug-Like Molecules Using Evolutionary Methods and Compound Fitness =46unctions
  • Seymour B. Elk (Elk Tech Assoc. USA) Chemical simplexes - a function of dimension developing a more efficient system of taxonomy and nomenclature
  • Julianne Halley (Monash Uni, Australia) Self-organization as a source of collective intelligence
  • Darryl Jones (Flinders Uni, Australia) Momentum Space Descriptors for Quantitative Structure-Activity Relationships
  • Kato, Hiroaki (Toyohashi Uni Technology, Japan) Three-dimensional protein structural data mining based on the glycine filter reduced representation
  • Stefano Moro (Uni Padova, Italy)) Integrated ligand and receptor-based strategies to discover new GPCR ligands: the human A3 adenosine receptor as a key study.
  • Sergey Bachurin (Inst Physiolog Active Compounds, Russia) Computational approaches to synthetic design, discovery and development of new neuroactive glutamate receptor ligands
  • Hiroshi Chuman (Toyohashi Uni Technology, Japan) Connecting Traditional QSAR and Molecular Simulations - Structure Based Quantitative Structure-Activity Relationship of Papain and HIV-1-Protease Inhibitors

--
Cheers,
Dave

Dr. David A. Winkler FRACI CChem CPChem      Email: dave.winkler~at~csiro.au  
CSIRO Centre for Complexity in Drug Design        Voice: 61-3-9545-2477
Senior Principal Research Scientist                Fax:  61-3-9545-2561
CSIRO Molecular Science                               or 61-3-9545-2446
Private Bag 10,Clayton South MDC 3169        http://www.csiro.au
Australia                                    http://www.molsci.csiro.au

Join us at CONNECT2005 (http://www.pco.com.au/connect2005/) 3-7 July 2005, the Royal Australian Chemical Institute's National Convention, the 11th Asian Chemical Congress in Seoul, August 24-26 2005 (http://www.11acc.org/), and Pacifichem 2005 in Honolulu December 15-20 (http://www.pacifichem.org).

--
Cheers,
Dave

Dr. David A. Winkler FRACI CChem CPChem      Email: dave.winkler~at~csiro.au  
CSIRO Centre for Complexity in Drug Design        Voice: 61-3-9545-2477
Senior Principal Research Scientist                Fax:  61-3-9545-2561
CSIRO Molecular Science                               or 61-3-9545-2446
Private Bag 10,Clayton South MDC 3169        http://www.csiro.au
Australia                                    http://www.molsci.csiro.au

Join us at CONNECT2005 (http://www.pco.com.au/connect2005/) 3-7 July 2005, the Royal Australian Chemical Institute's National Convention, the 11th Asian Chemical Congress in Seoul, August 24-26 2005 (http://www.11acc.org/), and Pacifichem 2005 in Honolulu December 15-20 (http://www.pacifichem.org).
--============_-1098853603==_ma============-- From chemistry-request@ccl.net Tue Apr 12 05:09:12 2005 Received: from server.ccl.net (ccl [127.0.0.1]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j3C99AYK031996 for ; Tue, 12 Apr 2005 05:09:10 -0400 Received: (from apache@localhost) by server.ccl.net (8.13.1/8.13.1/Submit) id j3C99Agu031995 for chemistry|at|ccl.net; Tue, 12 Apr 2005 05:09:10 -0400 Date: Tue, 12 Apr 2005 05:09:10 -0400 Message-Id: <200504120909.j3C99Agu031995|at|server.ccl.net> X-Authentication-Warning: server.ccl.net: apache set sender to chemistry-request|at|ccl.net using -f From: "Jelena, , Tamuliene" To: chemistry|at|ccl.net X-Web-Message-Number: 050412050725-31925 Subject: W:Solvent parameter X-Spam-Status: No, score=-0.6 required=5.0 tests=ALL_TRUSTED, FORGED_YAHOO_RCVD autolearn=failed version=3.0.1 X-Spam-Checker-Version: SpamAssassin 3.0.1 (2004-10-22) on server.ccl.net Dear All, We would like to obtain geometry structure of several organic compounds in the acetonitrile solvent applying GAMESS package. We must give the following numerical values of acetonitrile: 1. The radius in Angstrom 2. The dielectric constant 3. The dielectric costant at infinite frequency 4. The thermal expansion coefficient (1/K) 5. Molar volume (ml/mol) of acetonitrile 6. The surface tension (dyne/cm) 7. The thermal coefficient of log(surface tension) 8. The cavity microscopic coeficient It will be very kind of you to help us to find the above mentioned munerical values of acetonitrile. Thank you in advance. With respect, Elena From chemistry-request@ccl.net Tue Apr 12 09:06:59 2005 Received: from server.ccl.net (ccl [127.0.0.1]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j3CD6wtl009062 for ; Tue, 12 Apr 2005 09:06:58 -0400 Received: (from apache@localhost) by server.ccl.net (8.13.1/8.13.1/Submit) id j3CD6wFX009061 for chemistry|at|ccl.net; Tue, 12 Apr 2005 09:06:58 -0400 Date: Tue, 12 Apr 2005 09:06:58 -0400 Message-Id: <200504121306.j3CD6wFX009061|at|server.ccl.net> X-Authentication-Warning: server.ccl.net: apache set sender to chemistry-request|at|ccl.net using -f From: "Corinne, , DUFAURE" To: chemistry|at|ccl.net X-Web-Message-Number: 050412090432-8936 Subject: W:DOS X-Spam-Status: No, score=-2.8 required=5.0 tests=ALL_TRUSTED autolearn=failed version=3.0.1 X-Spam-Checker-Version: SpamAssassin 3.0.1 (2004-10-22) on server.ccl.net hello everybody, who can help me to draw the density of states of a cluster? I know about the theory but I have a problem to do it in practise : which software... thanks. C. From chemistry-request@ccl.net Tue Apr 12 11:40:17 2005 Received: from smtp3.Stanford.EDU (smtp3.Stanford.EDU [171.67.16.138]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j3CFeCsA018168 for ; Tue, 12 Apr 2005 11:40:12 -0400 Received: from cardinal1.Stanford.EDU (cardinal1.Stanford.EDU [171.64.15.249]) by smtp3.Stanford.EDU (8.12.11/8.12.11) with ESMTP id j3CEehlS004076; Tue, 12 Apr 2005 07:40:43 -0700 Date: Tue, 12 Apr 2005 07:40:43 -0700 (PDT) From: "S.I.Gorelsky" To: "Corinne, , DUFAURE" cc: chemistry !! ccl.net Subject: Re: CCL:W:DOS In-Reply-To: <200504121306.j3CD6wFX009061 !! server.ccl.net> Message-ID: MIME-Version: 1.0 Content-Type: TEXT/PLAIN; charset=US-ASCII X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.1 X-Spam-Checker-Version: SpamAssassin 3.0.1 (2004-10-22) on server.ccl.net Check http://www.sg-chem.net AOMix can generate the DOS plot data from numerous quantum-chemistry packages. Best regards, Serge Gorelsky On Tue, 12 Apr 2005, Corinne, , DUFAURE wrote: > hello everybody, > who can help me to draw the density of states of a cluster? > I know about the theory but I have a problem to do it in practise : which software... > > thanks. > C. > > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY !! ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST !! ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your is mail bouncing from ccl.net domain due to spam filters, please > use the Web based form from CCL Home Page > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > ---------------------------------------------------------------- Dr S.I. Gorelsky, Department of Chemistry, Stanford University Box 155, 333 Campus Drive, Stanford, CA 94305-5080 USA Phone: (650) 723-0041. Fax: (650) 723-0852. ---------------------------------------------------------------- From chemistry-request@ccl.net Tue Apr 12 11:57:08 2005 Received: from hawk.dcu.ie (mail.dcu.ie [136.206.1.5]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j3CFv4f2018985 for ; Tue, 12 Apr 2005 11:57:05 -0400 Received: from drugs.ucd.ie (137.43.140.40) by hawk.dcu.ie (7.0.016) id 41108D1900FAABE8; Tue, 12 Apr 2005 15:35:11 +0100 Subject: Re: CCL:W:DOS From: "Noel O'Boyle" To: "Corinne, , DUFAURE" Cc: chemistry _(a)_ ccl.net In-Reply-To: <200504121306.j3CD6wFX009061 _(a)_ server.ccl.net> References: <200504121306.j3CD6wFX009061 _(a)_ server.ccl.net> Content-Type: text/plain Message-Id: <1113316511.3486.33.camel _(a)_ drugs.ucd.ie> Mime-Version: 1.0 X-Mailer: Ximian Evolution 1.4.5 (1.4.5-9) Date: Tue, 12 Apr 2005 15:35:11 +0100 Content-Transfer-Encoding: 7bit X-Spam-Status: No, score=0.0 required=5.0 tests=none autolearn=failed version=3.0.1 X-Spam-Checker-Version: SpamAssassin 3.0.1 (2004-10-22) on server.ccl.net What program are you using to do the cluster calculation? If it's Gaussian or GAMESS you can use http://gausssum.sf.net. Otherwise you may have luck with http://www.sg-chem.net/aomix/. Noel On Tue, 2005-04-12 at 14:06, Corinne, , DUFAURE wrote: > hello everybody, > who can help me to draw the density of states of a cluster? > I know about the theory but I have a problem to do it in practise : which software... > > thanks. > C. > > > > -= This is automatically added to each message by the mailing script =- > To send e-mail to subscribers of CCL put the string CCL: on your Subject: line > and send your message to: CHEMISTRY _(a)_ ccl.net > > Send your subscription/unsubscription requests to: CHEMISTRY-REQUEST _(a)_ ccl.net > HOME Page: http://www.ccl.net | Jobs Page: http://www.ccl.net/jobs > > If your is mail bouncing from ccl.net domain due to spam filters, please > use the Web based form from CCL Home Page > -+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+-+ > > > > > From chemistry-request@ccl.net Tue Apr 12 17:54:48 2005 Received: from server.ccl.net (ccl [127.0.0.1]) by server.ccl.net (8.13.1/8.13.1) with ESMTP id j3CLsiQn030748 for ; Tue, 12 Apr 2005 17:54:44 -0400 Received: (from apache@localhost) by server.ccl.net (8.13.1/8.13.1/Submit) id j3CLsiNX030747 for chemistry _()_ ccl.net; Tue, 12 Apr 2005 17:54:44 -0400 Date: Tue, 12 Apr 2005 17:54:44 -0400 Message-Id: <200504122154.j3CLsiNX030747 _()_ server.ccl.net> X-Authentication-Warning: server.ccl.net: apache set sender to chemistry-request _()_ ccl.net using -f From: "Alexander, , Tropsha" To: chemistry _()_ ccl.net X-Web-Message-Number: 050412174918-30620 Subject: W:CALL FOR PAPERS, ACS: "ADVANCES IN DATA MINING AND ANALYSIS" X-Spam-Status: No, score=-2.5 required=5.0 tests=ALL_TRUSTED,SUBJ_ALL_CAPS autolearn=failed version=3.0.1 X-Spam-Checker-Version: SpamAssassin 3.0.1 (2004-10-22) on server.ccl.net Call for Papers - 230th ACS National Meeting, Washington, DC (August 28-September 1, 2005) ADVANCES IN DATA MINING AND ANALYSIS COMPUTATIONAL PERSPECTIVE Sponsored by Computers in Chemistry Division (COMP) Co-sponsored by Chemical Information Division (CINF) and ADVANCES IN DATA MINING AND ANALYSIS INFORMATICS PERSPECTIVE Sponsored by CINF Co-sponsored by COMP We invite you to submit abstracts for the symposium entitled Advances in Data Mining and Analysis at the upcoming ACS National Meeting at Washington D.C. Jointly organized by CINF and COMP, the symposium will cover issues and opportunities from both computational and informatics perspectives If you have views on data mining methodologies, new algorithms, data analysis and visualization, data pipelining and workflows, consider submitting abstract to the COMP symposium. Those who could share their perspectives on chemical databases, database searching, and hit list management, scientific text mining, IP-based data mining and competitive intelligence, knowledge capture and management, virtual collaboratories, consider submitting abstract to the CINF symposium Additional topics are also welcome. Please use the on-line abstract submission system (OASYS) for submitting your abstract (http://oasys.acs.org/oasys.htm): Select the CINF or COMP Division depending on your topic of interest. The system will take you through 5 easy steps to submit your abstract. The deadline for submitting abstracts is April 25, 2005 for COMP and May 3, 2005 for CINF. Symposium organizers: Alex Tropsha (alex_tropsha _()_ unc.edu) and Osman Guner (osman _()_ accelrys.com).