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Meeting report
by Wendy Warr 18 Aug '10

18 Aug '10

The 35th issue in our ACS report series is going to press. It has 40 transcripts of papers on visual analysis of chemical data, the future of chemical communication, chemical entity extraction, biochemical pathways and retrobiosynthesis, and finding synthetic methods, plus six months' worth of news from about 70 companies. Contents list and order form at http://www.warr.com. Half price to academia and government. Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com<http://www.warr.com/>

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2010 ICIC meeting in Vienna
by Wendy Warr 26 Jul '10

26 Jul '10

Posted on behalf of Christoph Haxel (with apologies for duplicate postings): Dear Colleague, Just a reminder that the early booking price for the 2010 ICIC meeting in Vienna this October expires 10 AUGUST 2010. If you are planning to attend the meeting but have not yet sent in your booking, please do so soon and save yourself some money. Full conference details are at: http://www.haxel.com/icic/2010/meeting I look forward to seeing you in Vienna. Regards, Christoph Haxel General Manager Dr. Haxel Congress and Event Management GmbH Operngasse 20B // 1040 Vienna // Austria www.haxel.com<http://www.haxel.com> Mobile AT: +43 69919000304 // Mobile DE: +49 1754110101 VAT ATU65338468 // FN 336285m

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Program announcement and call for participants: ChemAxon's US UGM: September 14-15, Boston, MA
by Alex Allardyce 16 Jul '10

16 Jul '10

Please excuse cross postings. The program is now available for ChemAxon's 2010 US User Group Meeting which will be held on Tuesday and Wednesday September 14-15 at the Omni Parker House, Downtown Boston. The meeting will preceded by a end user & developer training day on September 13th and followed by a Markush Forum on the morning of September 16th. Program: http://www.chemaxon.com/events/2010-us-ugm/#program The meeting will feature presentations from ChemAxon users, introduce a focus session on* SharePoint*, lightning presentations/exhibition from ChemAxon Partners and the latest updates on product developments. Preceding the meeting will be a dual track developer and end user Training Day on May 18th. To see the topics and schedule visit: * Developer Training Day: http://www.chemaxon.com/events/2010-us-ugm/#training--developer * End user: Application Focus Training Day: http://www.chemaxon.com/events/2010-us-ugm/#training--application-focus Following the UGM we have the first meeting of the *Markush Forum*, an open morning for interested organizations (users and content developers) to participate in the further development of ChemAxon's tools for Markush structure enumeration and search. More information here: http://www.chemaxon.com/events/2010-us-ugm/#markush-forum To find out more about the meeting , register or submit a poster abstract (open until September 6th) and view the program, please visit: http://www.chemaxon.com/events/2010-eugm/. To review the archives of previous meetings, including original presentations (slides and video) and meeting reports from Yvonne Martin and Wendy Warr visit: http://www.chemaxon.com/library/ugm-presentations/. Yvonne Martin's meeting report from San Diego 2009 is here https://www.chemaxon.com/library/ugm-presentations/2009-us/#2 We hope you can join us for a very interesting event. BR Alex Selected user presentations: * Evaluation of pKa Estimation Methods on 211 Druglike Compounds. Joann Prescott Roy, AstraZeneca * A Robotic Chemistry System for the Discovery of Cancer-Specific Targeting Ligands. John Frangioni, Harvard Medical School * Migrating Chemical Toolkits. Dan Durkin, Broad Institute * 2004-2010 - 6 years of using ChemAxon tools at Evotec. Ian Berry, Evotec (UK) Ltd * Chemical-text hybrid search engines. Yingyao Zhou, GNF * Implementation of ChemAxon in a SOA environment, Brett Hiemenz, GlaxoSmithKline * Helium: An EXCEL based User Tool for SAR analysis. Charles Wilkins, GlaxoSmithKline * Using J Chem Base - in a Db 2 environment & no chemical cartridge. Stephen Boyer, IBM Research * logD comparison with in-house data. Yvonne Martin, Martin Associates * Structure-based approaches to the indexing and retrieval of patent chemistry. Don Walter, Thomson Reuters * Fast flexible search in ZINC. John Irwin, University of California San Francisco ChemAxon Partners participants (tbc) - see partner listing here: http://www.chemaxon.com/partners/integrators.html -- *Alex Allardyce* Marketing Dir. *ChemAxon* *Ltd*. Maramaros koz 3/A, Budapest, 1037, Hungary Tel: +361 453 0435 skype: alex_allardyce

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InChI Trust Web site now live
by Wendy Warr 15 Apr '10

15 Apr '10

The InChI Trust web site is now live. http://www.inchi-trust.org/ Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com<http://www.warr.com/>

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Latest report
by Wendy Warr 02 Mar '10

02 Mar '10

My report on the ACS Meeting, Washington, DC, August 16-20, 2009 is a bumper issue with 31 transcripts of papers on cheminformatics, federated search, and chemical text mining and public molecular databases, plus six months' worth of news from 80 companies. It includes presentations from the Herman Skolnik Award Symposium honoring Yvonne Martin. Contents list and order form at http://www.warr.com. (Note that the report itself will not be on the Web.) Apologies for multiple postings. Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com<http://www.warr.com/>

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Cloud computing
by Wendy Warr 06 Jan '10

06 Jan '10

Some of you may be interested in my article on cloud computing (with a cheminformatics slant). http://www.qsarworld.com/files/Cloud-computing.pdf (Excuse duplicate postings.) Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com<http://www.warr.com/>

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SpringerMaterials
by Wendy Warr 03 Dec '09

03 Dec '09

(Apologies for duplicate postings) While here at the London Online meeting, I happened to see a demo of SpringerMaterials (http://www.springermaterials.com) This is the new electronic version of "Landolt-Boernstein". Now the last time I mentioned Landolt-Boernstein on the chminf-l Iist, there were lots of replies about unrealistic pricing. I am assured that this electronic version will cost you half as much as the old print Handbuch, or even less. Think tiered pricing and flexible licensing options. And you can still get print if you really want it. Aside from the marketing issues, I noted a rather nice interface and an expert option that helps with the Handbuch "classification". The legacy data is offered as PDF pages but new data will be added next year (and ongoing). Definitely worth a look. Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com

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Clarification: workflow tools in chemistry research
by Wendy Warr 26 Nov '09

26 Nov '09

A number of people have misunderstood my message and thought that I was writing about open access. Sorry - I have not. I have written articles on chemical reactions that anyone can read on the Web. Wendy From: Wendy Warr Sent: 25 November 2009 16:06 To: 'chminf-l(a)listserv.indiana.edu'; 'chemweb(a)ic.ac.uk'; 'mol-diversity(a)listserv.arizona.edu'; 'CDS-UK(a)JISCMAIL.AC.UK' Subject: workflow tools in chemistry research Subscribers may be interested in two meeting reports on open access at http://info.reaxys.com/event_recap. The latest is also on my own Web site at http://warr.com/reaxys09.html. Other pages at http://www.warr.com have been recently updated. Happy Thanksgiving! Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com<http://www.warr.com/>

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workflow tools in chemistry research
by Wendy Warr 25 Nov '09

25 Nov '09

Subscribers may be interested in two meeting reports on open access at http://info.reaxys.com/event_recap. The latest is also on my own Web site at http://warr.com/reaxys09.html. Other pages at http://www.warr.com have been recently updated. Happy Thanksgiving! Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com<http://www.warr.com/>

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Interactive Publications and the Record of Science
by Wendy Warr 24 Nov '09

24 Nov '09

ICSTI is holding a one-day workshop in Paris entitled "Interactive Publications and the Record of Science" on February 8, 2010. Looks interesting. The full program with speaker biographies is at: http://www.icsti.org/documents/Workshop_Programme2.pdf The registration form is at http://www.icsti.org/form2010.php Wendy Dr. Wendy A. Warr Wendy Warr & Associates 6 Berwick Court, Holmes Chapel Cheshire, CW4 7HZ, England Tel./Fax +44 (0)1477 533837 wendy(a)warr.com<mailto:wendy@warr.com> http://www.warr.com<http://www.warr.com/>

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