April 1997 - chemweb - imperial.ac.uk

ACS News
by Dr Wendy Warr 23 Apr '97

23 Apr '97

Not sure if everyone will know where to find ACS News at http://www.chemweb.com. When I myself visit the site I have to click on Members, then enter my name and password, before I get to any page that mentions ACS. Clicking on the ACS News item about Cabernet Sauvignon then leads to my own news snippets but clicking on the aromatous coffee item ledas not to coffee but to lots of good news that I had never seen before. Perhaps someone else would like to brwose and comment. Wendy -- Dr Wendy A Warr Wendy Warr and 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. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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CAS Number lookup
by Steven Abbott 21 Apr '97

21 Apr '97

Thanks for all the feedback on CAS Number lookup. It was right to point out that there are millions of CAS numbers - so my search for a simple database seemed hopeless. But most of us, most of the time, are dealing with 'ordinary' chemicals so I'd thought that a database able to cover, say, those listed in the CHIP regulations books might be readily available. Wouldn't it be an act of kindness for someone to issue such a simple list? Of course one can pay to look up these numbers with STN etc. - but I was looking for something free for my own PC. Although I looked at quite a few web sites with free CAS Number lookup, none was much use. But the ECDIN site recommended by Michael Barker (thanks!) was superb. It gave a 100% hit on the odd selection of numbers I threw at it - plus it gives lots of other data. Today it says it is changing its URL from http://ulisse.ei.jrc.it/Ecdin/Ecdin.html Unfortunately the message telling of the change is ambiguous. It's either: http://ulisse.etoit.eudra.org/Ecdin/Ecdin.html or just http://ulisse.etoit.eudra.org as of a few minutes ago the first one worked and neither of the second two did, so I don't know when the swap will take place. Many thanks for all your help Steve Steven Abbott steven(a)abbott.demon.co.uk http://www.autotype.com chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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World Index of Chime Tutorials
by Rzepa, Henry 20 Apr '97

20 Apr '97

Might I bring to your attention this excellent collection of Chime'd biomolecular materials from around the world, compiled and contributed to by Eric Martz; http://www.umass.edu/microbio/rasmol/tutbymol.htm Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)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. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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CAS Number lookup
by Steven Abbott 18 Apr '97

18 Apr '97

This may be a FAQ, but I can't remember it being one ... Someone in my company came to me with a CAS Number and wanted to know its chemical name. Although we have a book of names and numbers it is only suitable for name to number (except in some lucky cases). I assumed it would be trivial to find a way of doing it on the WWW - but although I found a couple of sites that offered such lookup as a free service (and my thanks go to them), their databases were too small and didn't have my particular CAS Number. They were focussed on giving the data on the chemicals, and putting all that data on all those chemicals would be a Herculean task. But I'm not asking for a database which gives all the information on the chemical - all I want is CAS Number --> chemical name. I can do the rest myself. What is the legal status of CAS Numbers? I'd assumed that they were public property for the good of us all. So I assumed it was possible for anyone to get hold of a copy of the code so we can put it on our computers and swap easily between name and number. A simple ASCII table would be all one needs - bringing it into a simple database package would be trivial. Thanks Steve Steven Abbott steven(a)abbott.demon.co.uk http://www.autotype.com chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Re: CAS Number lookup
by jsb2＠camsoft.com 18 Apr '97

18 Apr '97

>What is the legal status of CAS Numbers? I'd assumed that they were >public property for the good of us all. So I assumed it was possible >for anyone to get hold of a copy of the code so we can put it on our >computers and swap easily between name and number. A simple ASCII >table would be all one needs - bringing it into a simple database >package would be trivial. Databases generally fall under rules concerning "collection copyright". I am not a lawyer, but that is where you should start looking. The CAS numbers might be a more-complicated case, because not only did CAS gather them (as might a phone company), but it also authored them. Regardless, I don't know of many "simple" databases that can handle 16 million-odd records. :-} The database you are looking for is the CAS Registry File. Available from CAS, and from authorized distributors (Dialog, Questel, Beilstein (I think), etc.) Jonathan Brecher CambridgeSoft Corporation jsb(a)camsoft.com chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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ECTOC-3: Final Reminder-Abstracts due by 25 April
by Rzepa, Henry 18 Apr '97

18 Apr '97

ECTOC-3 Call for Articles and Posters. Final Reminder. ECTOC-3 is the third in the series of pioneering electronic conferences in the area of Organic Chemistry. This one is has the overall theme of Organometallic Chemistry. As with the first two conference, we expect that proceedings will be published in CD-ROM form, thus retaining all the active chemistry, and 3D coordinate models that can be submitted as part of the contribution. Discussions will be active during the period 30 June - 31 July 1997 Further information can be obtained via the URL http://www.ch.ic.ac.uk/ectoc/ectoc-3/ You can also inspect the CD-ROM of ECHET96, which is available as part of issue 6 of the RSC journal ChemComm. Abstract contributions should be submitted no later than April 25, 1997 via the page http://www.ch.ic.ac.uk/ectoc/ectoc-3/ectoc_sub.html or by sending an e-mail to ectoc-3-contrib(a)ic.ac.uk The ECTOC-3 mailing list can be subscribed to by sending an e-mail to majordomo(a)ic.ac.uk with the entry subscribe ectoc-3 Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)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. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Archive of Chemweb
by Rzepa, Henry 14 Apr '97

14 Apr '97

Please note that as a result of moving over to Majordomo as a listserver, our new archive is on http://www.lists.ic.ac.uk/hypermail/chemweb/index.html This offers the additional advantages that a) its structured by monthly postings b) its keyword searchable. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)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. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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ACS Meeting and E-Journals (two items)
by Rzepa, Henry 11 Apr '97

11 Apr '97

I wonder if anyone on this list (which seems to be back to normal!) might be going to the ACS meeting and might wish to post a report which they might consider relevant to the list? I expect the Internet Corral at the ACS will be bigger than ever. But a word of caution! Look at the signature file (they use Eudora). Last year I sent out such a report from Orlando signed as Mickey Mouse!! I myself attended the UK serials group this week. Some interesting trends on e-journals were evident a) Publishers are clustering in order to achieve a critical mass of e-journals, apparently considered to be > 100. b) This cluster is then presented to consortia of Universities in the form of site licenses. The UK has such an agreement with Academic Press, and apparently a good working model is to be found in the State of Ohio in the USA. c) It seems that the chemist might not gain too much, in the sense that the e-journal clusters are not necessarily subject based, but are broad-spectrum. for example, there is not too much chemistry in the AP cluster. d) Its not too obvious to anyone where the small publisher with specialist journals fits in (except the message is, join a consortium!). Also, chemically "enhanced" journals cause publishers problems, since they do not conform to the lowest common denominator of "full text". Finally, on this theme, I wonder if people have any feedback on the new crop of chemistry e-journals, or enhanced journals, 1. Chemical Educator 2. Journal of Molecular Modeling 3. Molecules 4. Electronic Journal of Theoretical Chemistry 5. CLIC Enhanced ChemComm. Dr Henry Rzepa, Dept. Chemistry, Imperial College, LONDON SW7 2AY; rzepa(a)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. Archived as: http://www.lists.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to majordomo(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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Excuse for error in mail setup on bid.de
by Werner.Worf＠bid.de 11 Apr '97

11 Apr '97

Hello everyone, I'm terribly sorry because of the error mails that all the members of the chemweb mailing list got. There was an typing mistake in the translation list between external and internal mail addresses. I fixed this error. I hope that this was the cause of the problems. Please contact me if you receive any new error mails from our domain the next time. Kind regards, Werner Worf ------------------------------------------------------------------------- Werner Worf Dr. Karl Thomae GmbH Tel: +49 7351 54 4099 Birkendorfer Str. 65 A Informationsverarbeitung FAX: +49 7351 54 2157 D-88397 Biberach Implementierung Biberach Mail: Werner.Worf(a)bid.de

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Mail from mailadm@bid.de
by Rzepa, Henry 11 Apr '97

11 Apr '97

Re: "You are not allowed to send mail to the internet! Received: from mail.bid.de by gatekeeper.bid.de with smtp " Please accept my regrets that this message has appeared some 12 times already today. The message is originating from mailadm(a)bid.de and because the list is currently unmoderated, I have no control over what a remote site sends to chemweb! Part of the problem lies in the use of the "listserver" program, where errors of this kind are sent to the list, rather than to its moderator. I have copied the administrator of bid.de in, in the hope that they can also do something to stop this flood. The easiest way for me to stop the flood is to change to majordomo as a listserver. Here, errors do go to the moderator rather than to the list. As far as you folks are concerned, the only difference is a) messages to subscribe (or as a few have done as a result of the error message, unsubscribe) must be sent to majordomo(a)ic.ac.uk rather than listserver b) Some of the other syntax to control the list changes c) The archive will also change to http://www.lists.ic.ac.uk/hypermail/chemweb/ This can probably be accomplished tomorrow by Jason. Unfortunately, I will be out all day, so cannot monitor the process. So please bear with us. I do hope you can manage to just junk the offending messages, and don't feel you have to unsubscribe from the forum. Fortunately, such rogue messages are quite rare (although you may not feel so today). Many thanks. Henry Rzepa. +44 171 594 5774 (Office) +44 594 5804 (Fax) ----- chemweb: A list for Chemical Applications of the Internet. Archived as: http://www.ch.ic.ac.uk/hypermail/chemweb/ To unsubscribe, send to listserver(a)ic.ac.uk the following message; unsubscribe chemweb List coordinator, Henry Rzepa (rzepa(a)ic.ac.uk)

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