June 1998 - chemweb - imperial.ac.uk

Student Bursaries available for ChemInt'98
by Janet Ash 17 Jun '98

17 Jun '98

Two bursaries are being offered through the Chemical Structure Association for students to attend ChemInt'98, the Chemistry and the Internet conference to be held in Irvine, California, from 12th -15th September 1998. Applicants must currently be in full-time education, and the bursaries cover registration fees, but not travel or accommodation. Full details of the conference are given at http://www.ijc.com/ci1/ To apply for a bursary, please send details of your education and qualifications, together with a supporting reference, by e-mail, to Janet Ash <ash(a)euronet.nl> by 31st July. Requests for assistance with accommodation costs may also be considered, but no travel expenses are available. ================================= Janet Ash, Chairman CSA The Roundel, Frittenden, Cranbrook Kent TN17 2EP, UK Tel/Fax: +44 (0)1580 852270 e-mail: ash(a)euronet.nl CSA website: http://www.chem-structure.org ================================= chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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CHIME and Netscape
by Hart_MacPherson＠hc-sc.gc.ca 16 Jun '98

16 Jun '98

Hart MacPherson 06/16/98 04:10 PM hello CHIME appears to be compatible with Netscape 3.01 but some users have reported that CHIME is incompatible with netscape 4.04. if this is so, does anyone happen to know if there are plans to make it compatible with Netscape 4.05 or higher? hart macpherson chemist health canada ottawa, canada chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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ChemSymphony Beans new www site
by Adam Hodgkin 16 Jun '98

16 Jun '98

A www site for ChemSymphony Beans is undergoing final editing and polishing. We hope to make a public announcement of it shortly. BEFORE we do this we would be most grateful for any comments or suggestions from the ChemWeb community. The shortly to be announced site will be found at: http://www.chemsymphony.com/ The 'newest' element of the site is under the 'extranet' button where we have a MOPAC demo and a SMILES demo which deploys some aspects of ChemSymphony's data conversion mechanisms. These are applets built with JavaBeans so they require a JDK 1.1 environment. In practice this means that you need the latest IE or NN on Windows and Solaris and the virtual machine on some platforms is not yet supporting 1.1. (We don't think there is currently a way of deploying applets made from Beans on the Mac or SGI platforms - Apple have said that they will do so soon via the Java Plug-in). Sun have produced a Java Plug-in an attempt to 'level the palying field' and we would be interested to hear from users whether the plug-in is an improvement. You will need to be patient while the applets download, but we think the speed is acceptable once everything is sitting in your browser. Of course, our pages can only demonstrate applets, and then only at the speed of the internet. The performance should be much better on an intranet and for evey applet made from Beans there are corresponding applications, which will often bring additional advantages (eg in the use of the clipboard, saving to disk etc). The MOPAC demo is purely a demo (not for serious chemistry). If a research group would like to develop, improve and host our implementation using MOPAC or any other suitable calculation engine Cherwell Scientific would be pleased to offer the group a free set of beans to develop such a public access site. If anyone has any brilliant ideas about what we could do with the beans to make yet more cool demos, please tell us directly or via this forum. Please send any bug reports or performance observations to chemsymphony(a)cherwell.com. Adam --- --- Adam Hodgkin | e-mail: adam(a)cherwell.com Chairman | Phone: +44 (0)1865 784810 Cherwell Scientific Publishing | Fax: +44 (0)1865 784801 Oxford OX4 4GA, UK | URL: http://www.cherwell.com --- --- chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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ChemInt'98: Last call for advance registration, 1 July!
by Rzepa, Henry 15 Jun '98

15 Jun '98

<<<<<<<<<<<<<<<<<<<<<<<<<<<>>>>>>>>>>>>>>>>>>>>>>> ChemInt'98 - Chemistry and the Internet - will be held in Irvine, CA on September 12-15, 1998. For details, please look at the url: http://www.ijc.com/ci1/ <<<<<<<<<<<<<<<<<<<<<<<<<<<>>>>>>>>>>>>>>>>>>>>>>> Technical Sponsors: ACS CINF Division ACS COMP Division The Chemical Structure Association (CSA) Special Libraries Association (SLA) Chemistry Division Current list of accepted speakers: Wendy Warr, Wendy Warr & Associates Barry Hardy, VEI Matt Hahn, MSI Mark J. Winter, University of Sheffield Henry Rzepa, Imperial College, London Joost Kircz, Elsevier Science, The Netherlands Peter Murray Rust, University of Nottingham Dave Weininger, Daylight Chemical Information Systems Nestor J. Zaluzec, Argonne National Labs This conference will look into the current and future technologies and developments for chemistry using the internet. This meeting will gather together the leaders and innovators in developing Internet resources for chemists, leading to discussions of what future innovations and direction will bring to chemists. Chemists who use the Internet on a regular basis, webmasters and web developers for chemistry sites, and web publishers will benefit greatly from this conference. In addition, working chemists who want to learn from leaders in this high growth and high visibility area what the current and future value of the Internet will also find the conference of great value. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; mailto:rzepa@ic.ac.uk; Tel (44) 171 594 5774; Fax: (44) 171 594 5804. URL: http://www.ch.ic.ac.uk/rzepa/ chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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CINF program Boston
by Dr. Wendy A. Warr 14 Jun '98

14 Jun '98

ACS meeting Boston August 23-27 I note that the full technical session schedule for the Division of Chemical Information is available at http://www.lib.uchicago.edu/~atbrooks/CINF/acs_upcoming.html#1998 There are sessions on Interfacing Robotics and Laboratory Automation, Competitive Intelligence Sources and Applications, Materials Science Informatics, Chemical Information on Intranets, and Recent Applications of 3D databases, as well as the Tri-Society Symposium which concentrates on a variety of Web resources and the Herman Skolnik Award Symposium (honoring Gary Wiggins) which covers all sorts of electronic journal issues. It looks a very good program. 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 http://www.warr.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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Register now for Chemistry Webmasters 4
by Becky Allen 09 Jun '98

09 Jun '98

If you have not already done so, NOW IS THE TIME TO REGISTER for CHEMISTRY WEBMASTERS 4 - Chemistry education and the Internet on Friday 3 July 1998, at the University of Bristols Chemistry Department. Organised by Chemsoc in association with The Royal Society of Chemistry and the University of Bristol, this FREE meeting will be a fascinating mixture of presentations, posters and discussion! Speakers include: John Maher on delivering of Multiple Choice Questionware over the network; Karl Harrison on teaching using chemistry web plug-ins; Paul Browning on the geology@bristol experience; John Garratt on integrating computer simulations into the curriculum; Keith Wilkinson on web chemistry in secondary schools; Steve Walker and Paul Yates on quality chemistry teaching web sites; plus Henry Rzepa! Once again, Mark Winter will chair a concluding discussion forum on issues raised during the day. Full details of the programme are at http://www.chemsoc.org/web4 To register, email Becky Allen at beckyallen(a)compuserve.comy Allen at beckyallen(a)compuserve.com chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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E-mail coverage of conference
by ChemConnect - Patrick van der Valk 09 Jun '98

09 Jun '98

Dear colleagues, Many of you might not attend the Electronic Commerce for Chemicals conference June 24-25 in Philadelphia, PA. But if you can't be there in person here's a (free) alternative... ChemConnect will be attending the conference and reporting on the events by e-mail. Each day of the conference we'll send registered recipients an overview of selected talks and presentations. We'll also see what's happening outside the conference rooms and report what people are saying in the hallways, bars, and restaurants. Finally, a week after the conference ends, we'll send a third and final e-mail with a round-up of the conference and some analysis of what has been said. Sign up for this new service is easy. Just visit: http://www.chemconnect.com/firstconf/ and fill out the on-line form. Regards, Patrick M. van der Valk C h e m C o n n e c t, I n c. P.S. If you think this information would be useful to a colleague, we do not mind if you forward this e-mail to him/her ;-) chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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CSA Trust 1998 Award
by Janet Ash 04 Jun '98

04 Jun '98

Apologies for multiple postings. CHEMICAL STRUCTURE ASSOCIATION TRUST 1998 AWARD The Chemical Structure Association Trust is an internationally recognised Trust established to promote education, research or development in the area of systems and methods for the storage, processing and retrieval of information about chemical structures, reactions and compounds. Applications are invited for the 1998 Chemical Structure Association Trust Award. The Trust is offering an Award of up to two thousand pounds sterling for the best applicant seeking funds for education or research in chemical information. Anyone working in the field of chemical information research can apply and application can be made for funds to attend a relevant conference, for travel (e.g. to collaborate with another research group) or for hardware or software to assist with the research project. The award is unlikely to be given exclusively for hardware and software. The application should include: 1. A statement of academic qualifications 2. Details of relevant work and a statement of research recently completed by the applicant 3. The purpose for which the award is required. The clarity and relevance of this statement will be crucial in the evaluation of the applicants 4. Letters from two academic references to support the application. Award winners are expected to write a short report, within one year of receiving the money, giving details of how the money was spent. The Trust has previously supported the continuation of research studies in biomedical interactions including molecular recognition processes and drug design; a novel combination of reaction indexing and synthesis planning; clustering of chemical structures for property prediction; and investigation of reaction mechanisms. The work of younger scientists in developing countries has also been made possible in conjunction with some of the awards. Recent award winners, and their areas of research, are as follows: - Marina Molchanova, Zelinsky Institute of Organic Chemistry, Moscow (use graph theoretical and combinatorial algorithms in structure generation) - Weifan Zheng, University of North Carolina (QSAR and combinatorial chemistry) - Aniko Simon, University of Leeds (chemical literature data extraction) - Eugene Babaev, Moscow State University (computer-assisted synthesis) - Gareth Jones, University of Sheffield (for presentation of paper on genetic algorithms at an ACS National Meeting) - Vladimir Kvasnicka, Slovak Technical University (neural networks for prediction of physiochemical properties) - Rainer Herges, University of Erlangen-Nuernberg (reaction databases and quantum chemistry) Applications must be submitted by 31st July 1998, preferably by e-mail, to the Chairman of the Awards sub-committee, Professor Michael Lynch, at: Michael F Lynch <M.Lynch(a)sheffield.ac.uk> Any postal applications should be sent to: Janet Ash Secretary of the Chemical Structure Association Trust The Roundel Frittenden Cranbrook Kent TN17 2EP UK The Award will be presented at the International Chemical Information Meeting in Nimes in October. chemweb: A list for Chemical Applications of the Internet. To post to list: mailto:chemweb@ic.ac.uk Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To (un)subscribe, mailto:majordomo@ic.ac.uk the following message; (un)subscribe chemweb List coordinator, Henry Rzepa (mailto:rzepa@ic.ac.uk)

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