September 2004 - chemweb - imperial.ac.uk

The colours of (almost) all the rainbow
by Rzepa, Henry 30 Sep '04

30 Sep '04

In case you have missed it, its important we all nowadays know what colour our favourite publisher is. Find out at http://www.mulita.indiana.edu/Librarians/colorcoding.html. Its important because the trend towards self (or institutional) archiving is growing apace, and the type of archive is characterised by its colour. Thus good = Gold. not bad = Green, pale green etc. Typical is eg http://www.dspace.cam.ac.uk/handle/1810/740 being the Dspace archive at Cambridge. Out of interest, is there anyone on this list who has or itends to archive their own work in chemistry? -- Henry Rzepa. +44 (020) 7594 5774 (Voice); +44 (0870) 132 3747 (eFax); rzepahs(a)mac.com (iChat) http://www.ch.ic.ac.uk/rzepa/ Dept. Chemistry, Imperial College London, SW7 2AZ, UK. (Voracious anti-spam filter in operation for received email. If expected reply not received, please phone/fax).

1 0

Chemistry on Mobile phones etc?
by Rzepa, Henry 25 Sep '04

25 Sep '04

I am seeking information on any uses of eg student mobile phones, music players etc for carrying useful course information etc. At its simplest would be a system for enabling students to download course calendars into eg a phone, at its slightly more elaborate one might envisage eg G3 generation phones being used to acquire more elaborate and perhaps specifically chemical information (for example miniSVG is a vector format designed for phones, which could perhaps be used to store chemical diagrams?) Some turnkey software systems are already available; for example iSync from Apple can synchronise eg calenders on some models of phone. As I am told however, the plethora of various standards or non standards on phones has defeated much work in this area, and phones are evolving so rapidly that tracking the changes is very difficult. So if anyone knows of interesting or even successful use of such devices in a chemical environment, I would be glad to hear. -- Henry Rzepa. Imperial College, Chemistry Dept. +44 0778 626 8220 +44 020 7594 5804 (Fax)

1 0

teaching organic spectroscopy/qualitative analysis software
by Adrian Blackman 22 Sep '04

22 Sep '04

Announcing the release of WinTorg version 4.00. WinTorg is a Windows simulation program that shows university and college students how to use spectroscopy to identify organic compounds. Spectroscopy is emphasized (pmr, cmr, ir, ms, uv) and the unknowns can be identified by spectroscopy and/or chemical tests and/or derivatives. Extensive context-sensitive help is available and the program can be customised. For more information and to download a free shareware version with 3 unknowns go to: http://www.chem.utas.edu.au/staff/blackman/shareware/torganal.htm ________________________________________________________ Dr Adrian Blackman Phone: (03) 6226 2183 Int'l 61 3 6226 2183 School of Chemistry Fax: (03) 6226 2858 Int'l 61 3 6226 2858 University of Tasmania Private Bag 75 Hobart Tasmania 7001 Australia Email: Adrian.Blackman(a)utas.edu.au WWW: http://www.chem.utas.edu.au/staff/blackman/ajb.htm ________________________________________________________

1 0

ADMET 2 Conference
by Wendy Warr 21 Sep '04

21 Sep '04

(Posted on behalf of Steve Heller) ADMET 2 Conference February 9-11, 2005 Town & Country Hotel San Diego, CA www.scherago.com/admet Co-Organizers: Steve Heller, NIST, USA (srheller(a)nist.gov) Tony Hopfinger, University of Illinois at Chicago, USA (hopfingr(a)uic.edu) Organizing Committee: Susan Bassett, Bioreason, USA ; Rob DeWitte, Canada; Kevin Geiss, USA; Kevin Geiss, USA; Osman Guner, USA; Peter Gund, IBM, USA; Philip Judson, UK; Daniel A Kleier, USA; D.J. Livingstone, UK ; Edward Matthews, USA; Donna Morrall, USA; Daniel Norris, USA; Ann M Richard, USA; Patrick Sinko, Rutgers, USA; Sung-Sau So , USA; Ikumi Tamai, Japan; Gil Veith, USA; David A. Winkler, Australia; Chihae Yang, USA Session Topics: Computational Approaches Experimental Approaches Physical Experimental Approaches - Biochemical Data and Databases Other Sessions, Technical Workshops and Exhibitors: (as of September 2004) There will also be scientific workshops on the NIH Roadmap/ADME/Tox Grant Program, Tox-ML , and Data Analysis Workshops/Exhibitors: ACDLabs, Bio-Rad, Prous Science Meeting Focus: ADMET 2 will again be an international meeting bringing together leaders in the computational and experimental areas of ADMET. The meeting will consist of invited lectures, poster talks, and technical vendor application workshop presentations. The lectures will focus on theory and application of both computational and experimental ADMET approaches. In addition, some lectures will be web-casted using the Prous MAVS technology. Speakers: Jurgen Bajorath, (Albany Molecular); Kim Brouwer, (University of North Carolina); Matt Clark (Locus); Mark Cronin, (Liverpool John Moores University); Peter Dandliker (Abbott Labs); Gavin Dollinger (Chiron); Barnard Faller, (Novartis); Bert A. 't Hart (Biomedical Primate Research Centre); Gilles Klopman (Case-Western); Bo Michniak, (University of Medicine and Dentistry of New Jersey); Tudor Opera (University of New Mexico), Christian Schobert (Dow); Patrick Sinko (Rutgers); Sam Yalkowsky (University of Arizona); Student Travel Grants are available See web site for details Website: www.scherago.com/admet Email: admet(a)scherago.com 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

1 0