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Molecule of the Month - September
by Paul May 01 Sep '99

01 Sep '99

Hi, September's MOTM is Anatoxin, a potent alkaloid toxin derived from bacteria. It's been written by Neil Edwards of Sussex University and is available in HTML-only and Chime versions. http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm Regards, ------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927, fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> "Not all chemicals are bad. Without chemicals such as hydrogen and oxygen, for example, there would be no way to make water, a vital ingredient in beer". --Dave Barry ------------------------------------------------------------------------- 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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"Chemoinformaticians"
by Dr. Wendy A. Warr 10 Aug '99

10 Aug '99

Colleagues, Please excuse multiple postings. In connection with a paper I am giving in an ACS COMP Division symposium in New Orleans, I want to re-open the discussion on chemoinformatics that we had on one of these lists some years ago. Not only has the term "chemoinformatics" become even more strongly entrenched (though some say "cheminformatics) but some companies now formally use the awful job title "chemoinformatician". Leaving aside linguistic considerations, I would be interested in subscribers' views on the following. What does a chemoinformatician actually do that a computational chemist or chemical information professional does not do? What skills would you look for if you were recruiting one of these scientists, under whatever job title? Is there a shortage of such skills and, if so, what should the higher education establishment be doing (if anything) to help supply meet demand? Please reply to me in person but I will summarize the comments for the list(s) if this seems desirable. 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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Great progress in Molecules' MolBank http://www.molbank.org
by Shu-Kun Lin 07 Aug '99

07 Aug '99

(Excuse me for sending to several mailing lists) Our MolBank section (http://www.molbank.org) of Molecules is perhaps the first, almost perfect electronic journal in chemistry. You can already search on the website www.molbank.org all the published compounds by 2D substructure search. MolBank new features: - easy, electronic procedure to submit a paper - free access from the Internet with powerful searching tools - IUPAC Names (for the titles) generated by CAD (http://www.acdlabs.com) in addition to the following - one-paper for one reaction with one fully characterized product - very fast publication, particularly suitable for publishing short communications to have the priority the a chemist is the first to have synthesized a compound or have fully characterized a natural product - easy publication of short notes of scattered unassembled experimental data for individual compounds which is conventionally not publishable I would like to introduce Dr. Luc Patiny as the MolBank section Editor of MOLECULES (http://www.mdpi.org/molecules/editors.htm#molbank) Dr. Patiny is from the Institute of Organic Chemistry, University Lausanne, Switzerland. We will publish a large issue soon in August 1999. Enjoy it! Shu-Kun -- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland Tel. +41 79 322 3379, Fax +41 61 302 8918 E-mail: lin(a)mdpi.org http://www.mdpi.org/lin/ 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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Molecule of the Month - August
by Paul May 01 Aug '99

01 Aug '99

Hi, August's MOTM is the asthma drug Salbutamol and has been written by Jerome Hettich as part of an undergraduate project at Imperial College London. Direct link: http://www.ch.ic.ac.uk/local/projects/j_hettich/+start.html MOTM page: http://www.bristol.ac.uk/Depts/Chemistry/MOTM/motm.htm Regards, ------------------------------------------------------------------------- Dr Paul May, School of Chemistry, University of Bristol, UK tel: +44 (0)117 928-9927, fax: +44 (0)117 925-1295 <mailto:paul.may@bris.ac.uk> <http://www.bris.ac.uk/Depts/Chemistry/staff/pwm.htm> ------------------------------------------------------------------------- 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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Meetings, news, vacancies...
by Dr. Wendy A. Warr 24 Jul '99

24 Jul '99

Featured on Warr Zone: Celltech Merger with Chiroscience Group TerraGen Acquisitions Zeneca Specialties Patenting of Combinatorial Chemistry Therapeutic Antibodies to Merge with Proteus ComGenex Procures CE mark for MultiReactor ComGenex and Rhône-Poulenc Agro Establish Combichem Collaboration Organic Letters Web Edition Goes Live http://www.warr.com/warrzone.htm Meetings updated at http://www.warr.com/meet99.html and http://www.warr.com/meet00.html Job vacancies at http://www.warr.com/vacancies.htm A few other things have changed too. Have 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 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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Annual Review of Chemical Resources on the Internet
by Shu-Kun Lin 09 Jul '99

09 Jul '99

I would like to invite you to contribute short papers for presentation at ECSOC-3 (http://www.mdpi.org/ecsoc-3.htm section E) and for publication in a special issue (December 1999) "Annual Review of Chemical Resources on the Internet" of MOLECULES (http://www.mdpi.org/molecules/) Any suggestions are welcomed. Titles and Topics are Links for Chemists Main website: http://www.liv.ac.uk/Chemistry/Links/links.html Author(s): Michael H. Barker <M.H.Barker(a)liverpool.ac.uk> Online-only Journals Monitored by Chemical Abstracts Main website: http://www.cas.org/EO/ejourn2.html Author(s): Nancy Simons <simons.28(a)osu.edu> Web-Based 2D Structure Registration and Search Main website: http://www.mdpi.org/forum.htm#chemicals Author(s): (Shu-Kun Lin) Online Accessible Chemical Databases Main website: http://www.mdpi.org/forum.htm#chemicals Author(s): (Shu-Kun Lin) Other topics: Electronic Conferences on Chemistry Mailing Lists of Chemistry Chemical Software (Several papers) Chemical Java Applets Web-Based Electronic Laboratory Notebook Online Chemistry Books Web-Reprints of Classical Works New Web-Based Books Databases, websites related to chemistry are very dynamic, ever growing or updating. Let us have a snapshot once every year so that some decades late, to say in 2100, our grand children will have a chance to see how things on the then primitive and exciting internet going. Internet is a large stride of a revolution towards information freedom. The "Annual Review of Chemical Resources on the Internet" also serves as records of the overview of the work of chemistry internet pioneers. Submitted papers can be stored locally on your server. If possible, with the permission of the webmaster, download and store the related websites and put them into your local server The style of the papers should be like that of http://www.unibas.ch/mdpi/molecules/papers/30100016/30100016.htm Try to gather all the links to the "References and Notes" section. The first one will be published as a special issue of Molecules (http://mdpi.org/molecules/) in December 1999. If it its volume is very large, we may treat it as an online book. Interested authors are invited to prepare a chapter. One chapter in the final book is regarded as an independent review paper for Molecules. please contact by e-mail with me for further information. Shu-Kun Lin Managing Editor Molecules (ISSN 1420-3049, CODEN: MOLEFW) http://www.mdpi.org/molecules/ --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland http://www.mdpi.org/ E-mail lin(a)mdpi.org Tel. +41 79 322 3379, Fax +41 61 302 8918 -------------------------------------------------------- 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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Presenting java applets at ECSOC-3
by Shu-Kun Lin 07 Jul '99

07 Jul '99

Hi, Please present all of your java applets related to structure drawing and any chemical application at CSOC-3, section E. Its website is http://www.mdpi.org/ecsoc-3.htm Shu-Kun Lin --------------------------------------------------------- Dr. Shu-Kun Lin Molecular Diversity Preservation International (MDPI) Saengergasse 25, CH-4054 Basel, Switzerland http://www.mdpi.org/ E-mail lin(a)mdpi.org Tel. +41 79 322 3379, Fax +41 61 302 8918 -------------------------------------------------------- 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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Re: java applet called Molecule Viewer
by Lewis Jardine 07 Jul '99

07 Jul '99

The little applet is nice, small and simple but fairly limitted in its scope (XYZ files only). Alternatively, I would suggest looking at ChemSymphony Lite or for the more adventurous ChemSymphony Beans Lite which are available for nothing at: http://www.chemsymphony.com/ordering/download.html NB. Please read the license. Obviously, these are heavier applications but they can do more... Naturally, I have a biassed opinion, but since these products are free to evaluate and also free to use on the WWW, it costs you nothing to make your own decision. Cheers Lewis <M.H.Barker(a)liverpool.ac.uk> wrote: > Dear ChemWeb folks, > I recently stumbled across a java applet called Molecule Viewer created by Sun...follow //cgi.zdnet.com/slink?3897 and choose the appropriate applet. (Please excuse the round about route.) This saves you a few clicks ftp://ftp.zdnet.com/devhead/applets/ja0527.zip --- --- Dr. Lewis Jardine | e-mail: lewis(a)cherwell.com ChemSymphony Team Leader | Phone: +44 (0)1865 784810 Cherwell Scientific Ltd | Fax: +44 (0)1865 784801 Oxford Science Park | http://www.cherwell.com/ OX4 4GA, UK | http://www.chemsymphony.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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Re: java applet called Molecule Viewer
by Larry WIER 07 Jul '99

07 Jul '99

Dear ChemWeb folks, I recently stumbled across a java applet called Molecule Viewer created by Sun...follow //cgi.zdnet.com/slink?3897 and choose the appropriate applet. (Please excuse the round about route.) Has anyone used this applet? What are the advantages or disadvantages vs Chime for dispalying molecules on HTML pages? Thanks. Larry Wier Dr Larry Wier Dept of Chemistry St Bonaventure Univ St Bonaventure, NY 14778 lwier(a)sbu.edu 716-375-2116 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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Pure e-processing of Journal articles
by Rzepa, Henry 06 Jul '99

06 Jul '99

I noticed (after I had submitted an article to R on paper) that an (almost) purely electronic path now exists with this major publisher. Thus new (and revised) article submission guidelines http://www.rsc.org/submissions show the LEAST preferred option as printing the article, putting it in an envelope and posting it! I gather that only a very small proportion of these articles currently get refereed online, but the RSC apparently hopes to increase this! The e-documents then go to the production dept, and for PhysChemComm at least, never actually get printed! I have not had the time to visit many other society and commercial publishers pages, but I wonder how many journals offer a purely e-only route. One that HAS been doing so for some time is the Internet Journal of Chemistry, and the J. Mol. Modelling as well. The ACS has recently started. I do find it interesting that mainstream publishers are now offering this route as the preferred option, even for journals that ultimately end up being printed. 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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