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From: Joerg K. W. <we...@in...> - 2005-02-24 12:28:08
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Hi all, i'm presenting two lectures at the ACS meeting and i have seen that=20 Rajarshi Guha is also there. Anyone else? Here are the topics of my talks, for both i used JOELib using some=20 interal source code, still not publicly available until published: Difference in vector-based and graph-based coding for ADME prediction. J. K. Wegner, A. Zell The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. Session: ADME/tox Informatics http://oasys2.confex.com/acs/229nm/techprogram/S17408.HTM Chair: O. F. G=FCner Relevance of feature selection for clustering molecules. J. K. Wegner, F. Sieker, A. Zell The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. Session: Applications of Information Theory in Chemistry Chairs: V. Shanmugasundaram and G. M Maggiora http://oasys2.confex.com/acs/229nm/techprogram/S16537.HTM And here is the link to the full scientific program: http://oasys2.confex.com/acs/229nm/techprogram/ Kind regards, Joerg --=20 Dipl. Chem. Joerg K. Wegner Center of Bioinformatics Tuebingen (ZBIT) Department of Computer Architecture Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany Phone: (+49/0) 7071 29 78970 Fax: (+49/0) 7071 29 5091 E-Mail: mailto:we...@in... WWW: http://www-ra.informatik.uni-tuebingen.de -- Never mistake motion for action. (E. Hemingway) Never mistake action for meaningful action. (Hugo Kubinyi,2004) |
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From: Peter Murray-R. <pm...@ca...> - 2005-02-24 15:09:06
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At 13:27 24/02/2005 +0100, Joerg K. Wegner wrote: >Hi all, > >i'm presenting two lectures at the ACS meeting and i have seen that=20 >Rajarshi Guha is also there. Anyone else? excellent. I and Henry will be there. I shan't stay the whole time so we=20 should plan our timetables. Henry and I are both speaking at the Open=20 Access session. This will be a great opportunity to meet each other, find out exactly where= =20 we are and to make tentative plans. Today we managed to create some simple= =20 but impressive workflows and webservices and would be keen to bind JOELib=20 into them. P. >Here are the topics of my talks, for both i used JOELib using some interal= =20 >source code, still not publicly available until published: > >Difference in vector-based and graph-based coding for ADME prediction. >J. K. Wegner, A. Zell >The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >Session: ADME/tox Informatics >http://oasys2.confex.com/acs/229nm/techprogram/S17408.HTM >Chair: O. F. G=FCner > >Relevance of feature selection for clustering molecules. >J. K. Wegner, F. Sieker, A. Zell >The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >Session: Applications of Information Theory in Chemistry >Chairs: V. Shanmugasundaram and G. M Maggiora >http://oasys2.confex.com/acs/229nm/techprogram/S16537.HTM > >And here is the link to the full scientific program: >http://oasys2.confex.com/acs/229nm/techprogram/ > >Kind regards, Joerg >-- >Dipl. Chem. Joerg K. Wegner >Center of Bioinformatics Tuebingen (ZBIT) >Department of Computer Architecture >Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany >Phone: (+49/0) 7071 29 78970 >Fax: (+49/0) 7071 29 5091 >E-Mail: mailto:we...@in... >WWW: http://www-ra.informatik.uni-tuebingen.de >-- >Never mistake motion for action. > (E. Hemingway) > >Never mistake action for meaningful action. > (Hugo Kubinyi,2004) > > > > >------------------------------------------------------- >SF email is sponsored by - The IT Product Guide >Read honest & candid reviews on hundreds of IT Products from real users. >Discover which products truly live up to the hype. Start reading now. >_______________________________________________ >Joelib-help mailing list >Joe...@li... >https://lists.sourceforge.net/lists/listinfo/joelib-help Peter Murray-Rust Unilever Centre for Molecular Informatics Chemistry Department, Cambridge University Lensfield Road, CAMBRIDGE, CB2 1EW, UK Tel: +44-1223-763069 |
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From: Rajarshi G. <rx...@ps...> - 2005-02-24 15:14:57
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On Thu, 2005-02-24 at 15:07 +0000, Peter Murray-Rust wrote: > At 13:27 24/02/2005 +0100, Joerg K. Wegner wrote: > >Hi all, > > > >i'm presenting two lectures at the ACS meeting and i have seen that > >Rajarshi Guha is also there. Anyone else? > > excellent. I and Henry will be there. I shan't stay the whole time so we > should plan our timetables. Henry and I are both speaking at the Open > Access session. > > This will be a great opportunity to meet each other, find out exactly where > we are and to make tentative plans. Today we managed to create some simple > but impressive workflows and webservices and would be keen to bind JOELib > into them. It would certainly be nice to meet everybody - would it be possible to fix up a day/time? ------------------------------------------------------------------- Rajarshi Guha <rx...@ps...> <http://jijo.cjb.net> GPG Fingerprint: 0CCA 8EE2 2EEB 25E2 AB04 06F7 1BB9 E634 9B87 56EE ------------------------------------------------------------------- A committee is a life form with six or more legs and no brain. -- Lazarus Long, "Time Enough For Love" |
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From: Joerg K. W. <we...@in...> - 2005-02-24 15:21:01
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Hi Peter, is this correct: session: The Future of Scientific Publishing http://oasys2.confex.com/acs/229nm/techprogram/ chair: Guenter Grethe 9:05 AM Open access and the Chemical Semantic Web Peter Murray-Rust, Henry S. Rzepa 9:35 AM RDF-based molecular relationships, the Semantic Web and the=20 future of scientific publishing Henry S. Rzepa, Omer Casher, Peter Murray-Rust Convention Center -- Room 33B, Oral BTW, both of my lectures are in Convention Center -- Room 33A, Oral I will arrive at the weekend, so i hope i will manage to come to your=20 lecture on monday. Kind regards, Joerg > At 13:27 24/02/2005 +0100, Joerg K. Wegner wrote: >=20 >> Hi all, >> >> i'm presenting two lectures at the ACS meeting and i have seen that=20 >> Rajarshi Guha is also there. Anyone else? >=20 >=20 > excellent. I and Henry will be there. I shan't stay the whole time so w= e=20 > should plan our timetables. Henry and I are both speaking at the Open=20 > Access session. >=20 > This will be a great opportunity to meet each other, find out exactly=20 > where we are and to make tentative plans. Today we managed to create=20 > some simple but impressive workflows and webservices and would be keen=20 > to bind JOELib into them. >=20 > P. >=20 >> Here are the topics of my talks, for both i used JOELib using some=20 >> interal source code, still not publicly available until published: >> >> Difference in vector-based and graph-based coding for ADME prediction. >> J. K. Wegner, A. Zell >> The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >> Session: ADME/tox Informatics >> http://oasys2.confex.com/acs/229nm/techprogram/S17408.HTM >> Chair: O. F. G=FCner >> >> Relevance of feature selection for clustering molecules. >> J. K. Wegner, F. Sieker, A. Zell >> The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >> Session: Applications of Information Theory in Chemistry >> Chairs: V. Shanmugasundaram and G. M Maggiora >> http://oasys2.confex.com/acs/229nm/techprogram/S16537.HTM >> >> And here is the link to the full scientific program: >> http://oasys2.confex.com/acs/229nm/techprogram/ >> >> Kind regards, Joerg >> --=20 >> Dipl. Chem. Joerg K. Wegner >> Center of Bioinformatics Tuebingen (ZBIT) >> Department of Computer Architecture >> Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany >> Phone: (+49/0) 7071 29 78970 >> Fax: (+49/0) 7071 29 5091 >> E-Mail: mailto:we...@in... >> WWW: http://www-ra.informatik.uni-tuebingen.de >> --=20 >> Never mistake motion for action. >> (E. Hemingway) >> >> Never mistake action for meaningful action. >> (Hugo Kubinyi,2004) >> >> >> >> >> ------------------------------------------------------- >> SF email is sponsored by - The IT Product Guide >> Read honest & candid reviews on hundreds of IT Products from real user= s. >> Discover which products truly live up to the hype. Start reading now. >> _______________________________________________ >> Joelib-help mailing list >> Joe...@li... >> https://lists.sourceforge.net/lists/listinfo/joelib-help >=20 >=20 > Peter Murray-Rust > Unilever Centre for Molecular Informatics > Chemistry Department, Cambridge University > Lensfield Road, CAMBRIDGE, CB2 1EW, UK > Tel: +44-1223-763069 >=20 >=20 --=20 Dipl. Chem. Joerg K. Wegner Center of Bioinformatics Tuebingen (ZBIT) Department of Computer Architecture Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany Phone: (+49/0) 7071 29 78970 Fax: (+49/0) 7071 29 5091 E-Mail: mailto:we...@in... WWW: http://www-ra.informatik.uni-tuebingen.de -- Never mistake motion for action. (E. Hemingway) Never mistake action for meaningful action. (Hugo Kubinyi,2004) |
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From: Peter Murray-R. <pm...@ca...> - 2005-02-24 19:16:35
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At 16:20 24/02/2005 +0100, Joerg K. Wegner wrote: >Hi Peter, > >is this correct: Yes! We should probably continue the discussion of personal meetings=20 offlist, but we hope to be demoing some exciting stuff. Essentially I want= =20 to show that **IF** scientific data is freely available then very powerful= =20 analyses of journals can be made. For example we can now - read the TOC for acta cryst E - extract each paper - extract each CIF - convert to CML - create InChI - look it up in our repository - if new, compute simple properties (MWt, formula) - create 2D layout - run MOPAC/GAMESS we want to extend that to - compute JOELib descriptors and we would probably do that through a web=20 service. So the question is then simply: - do publishers permit this or do they forbid it? P. >session: The Future of Scientific Publishing >http://oasys2.confex.com/acs/229nm/techprogram/ >chair: Guenter Grethe >9:05 AM Open access and the Chemical Semantic Web > Peter Murray-Rust, Henry S. Rzepa >9:35 AM RDF-based molecular relationships, the Semantic Web and the future= =20 >of scientific publishing > Henry S. Rzepa, Omer Casher, Peter Murray-Rust >Convention Center -- Room 33B, Oral > >BTW, both of my lectures are in >Convention Center -- Room 33A, Oral > >I will arrive at the weekend, so i hope i will manage to come to your=20 >lecture on monday. > >Kind regards, Joerg > >>At 13:27 24/02/2005 +0100, Joerg K. Wegner wrote: >> >>>Hi all, >>> >>>i'm presenting two lectures at the ACS meeting and i have seen that=20 >>>Rajarshi Guha is also there. Anyone else? >> >>excellent. I and Henry will be there. I shan't stay the whole time so we= =20 >>should plan our timetables. Henry and I are both speaking at the Open=20 >>Access session. >>This will be a great opportunity to meet each other, find out exactly=20 >>where we are and to make tentative plans. Today we managed to create some= =20 >>simple but impressive workflows and webservices and would be keen to bind= =20 >>JOELib into them. >>P. >> >>>Here are the topics of my talks, for both i used JOELib using some=20 >>>interal source code, still not publicly available until published: >>> >>>Difference in vector-based and graph-based coding for ADME prediction. >>>J. K. Wegner, A. Zell >>>The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >>>Session: ADME/tox Informatics >>>http://oasys2.confex.com/acs/229nm/techprogram/S17408.HTM >>>Chair: O. F. G=FCner >>> >>>Relevance of feature selection for clustering molecules. >>>J. K. Wegner, F. Sieker, A. Zell >>>The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >>>Session: Applications of Information Theory in Chemistry >>>Chairs: V. Shanmugasundaram and G. M Maggiora >>>http://oasys2.confex.com/acs/229nm/techprogram/S16537.HTM >>> >>>And here is the link to the full scientific program: >>>http://oasys2.confex.com/acs/229nm/techprogram/ >>> >>>Kind regards, Joerg >>>-- Peter Murray-Rust Unilever Centre for Molecular Informatics Chemistry Department, Cambridge University Lensfield Road, CAMBRIDGE, CB2 1EW, UK Tel: +44-1223-763069 |
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From: Christoph S. <c.s...@un...> - 2005-02-24 21:16:02
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Very good. I´ll also be there. When do you guys arrive? I´m there for a CIC-CINF coordination meeting on Friday and have to leave on Tuesday morning. Cheers, Chris Peter Murray-Rust wrote: > At 13:27 24/02/2005 +0100, Joerg K. Wegner wrote: > >> Hi all, >> >> i'm presenting two lectures at the ACS meeting and i have seen that >> Rajarshi Guha is also there. Anyone else? > > > excellent. I and Henry will be there. I shan't stay the whole time so we > should plan our timetables. Henry and I are both speaking at the Open > Access session. > > This will be a great opportunity to meet each other, find out exactly > where we are and to make tentative plans. Today we managed to create > some simple but impressive workflows and webservices and would be keen > to bind JOELib into them. > > P. > >> Here are the topics of my talks, for both i used JOELib using some >> interal source code, still not publicly available until published: >> >> Difference in vector-based and graph-based coding for ADME prediction. >> J. K. Wegner, A. Zell >> The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >> Session: ADME/tox Informatics >> http://oasys2.confex.com/acs/229nm/techprogram/S17408.HTM >> Chair: O. F. Güner >> >> Relevance of feature selection for clustering molecules. >> J. K. Wegner, F. Sieker, A. Zell >> The 229th ACS National Meeting, in San Diego, CA, March 13-17, 2005. >> Session: Applications of Information Theory in Chemistry >> Chairs: V. Shanmugasundaram and G. M Maggiora >> http://oasys2.confex.com/acs/229nm/techprogram/S16537.HTM >> >> And here is the link to the full scientific program: >> http://oasys2.confex.com/acs/229nm/techprogram/ >> >> Kind regards, Joerg >> -- >> Dipl. Chem. Joerg K. Wegner >> Center of Bioinformatics Tuebingen (ZBIT) >> Department of Computer Architecture >> Univ. Tuebingen, Sand 1, D-72076 Tuebingen, Germany >> Phone: (+49/0) 7071 29 78970 >> Fax: (+49/0) 7071 29 5091 >> E-Mail: mailto:we...@in... >> WWW: http://www-ra.informatik.uni-tuebingen.de >> -- >> Never mistake motion for action. >> (E. Hemingway) >> >> Never mistake action for meaningful action. >> (Hugo Kubinyi,2004) >> >> >> >> >> ------------------------------------------------------- >> SF email is sponsored by - The IT Product Guide >> Read honest & candid reviews on hundreds of IT Products from real users. >> Discover which products truly live up to the hype. Start reading now. >> _______________________________________________ >> Joelib-help mailing list >> Joe...@li... >> https://lists.sourceforge.net/lists/listinfo/joelib-help > > > Peter Murray-Rust > Unilever Centre for Molecular Informatics > Chemistry Department, Cambridge University > Lensfield Road, CAMBRIDGE, CB2 1EW, UK > Tel: +44-1223-763069 > > > > ------------------------------------------------------- > SF email is sponsored by - The IT Product Guide > Read honest & candid reviews on hundreds of IT Products from real users. > Discover which products truly live up to the hype. Start reading now. > http://ads.osdn.com/?ad_ide95&alloc_id396&op=click > _______________________________________________ > Qsar-devel mailing list > Qsa...@li... > https://lists.sourceforge.net/lists/listinfo/qsar-devel > > > -- Dr. rer. nat. habil. Christoph Steinbeck (c.s...@un...) Groupleader Junior Research Group for Applied Bioinformatics Cologne University BioInformatics Center (http://www.cubic.uni-koeln.de) Zülpicher Str. 47, 50674 Cologne Tel: +49(0)221-470-7426 Fax: +49 (0) 221-470-7786 What is man but that lofty spirit - that sense of enterprise. ... Kirk, "I, Mudd," stardate 4513.3.. |
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