Date: Fri, 17 Oct 1997
From: Niels Berg Olsen
Subject: Cheminformatics/Two new refs.
Title: Bioinformatics and cheminformatics in the drug discovery cycle
Author(s): Lim, H.A.
Author Affiliation: Pangea Syst. Inc., Oakland, CA, USA
Conference Title: Bioinformatics. German Conference on Bioinformatics, GCB'96.
Selected Papers p.30-43 Editor(s): Hofestadt, R.; Lengauer, T.; Loffler, M.;
Schomburg, D.
Publisher: Springer-Verlag, Berlin, Germany Publication Date: 1997
Country of Publication: Germany xi+222 pp.
Material Identity Number: XX97-02093
Conference Title: Bioinformatics German Conference on Bioinformatics, GCB'96
Conference Date: 30 Sept.-2 Oct. 1996
Conference Location: Leipzig, Germany
Language: English
Abstract: We describe the paradigms of bioinformation and cheminformation. The
rise of bioinformatics, a new subject area that has been receiving a lot of
attention recently, is also chronicled. The dynamics forcing pharmaceutical
companies to undertake major infrastructure investments in new, complex and very
data-intensive drug discovery technologies are discussed, and the roles of
bioinformatics and cheminformatics in the context of drug discovery are also
given.
Title: Drug design in an integrated environment: Integrated use of
cheminformatics with molecular simulation, modeling, and analysis tools.
Author(s): Guner OF; Waldman M; Venkatachalam CM; Giaimo RJ
Corporate Source: MOL SIMULAT INC,/SAN DIEGO//CA/92121
Journal: ABSTRACTS OF PAPERS OF THE AMERICAN CHEMICAL SOCIETY, 1997, V214, 1
(SEP 7), P35-COMP
ISSN: 0065-7727
Publication date: 19970907
Publisher: AMER CHEMICAL SOC, 1155 16TH ST, NW, WASHINGTON, DC 20036
Language: English
Document Type: MEETING ABSTRACT
Date: Fri, 17 Oct 1997
From: Wendy Warr
Subject: Re: Cheminformatics/Two new refs.
I wonder if any of the sources define this awful neologism ("chemoinformatics"
or "cheminformatics"). Does it really differ from "chemical information" or
"computational chemistry". As I have said before, I suspect that it is merely an
image-enhancing name for some practitioners of computational chemistry. I know
that Yvonne martin disagrees with me! By coincidence I have just gone to press
with a magazine article mentioning my distaste for this term - but most of all I
object to the title "chemoinformatician" which appeared in a recent job ad (for
a computational chemist).
Wendy
Dr Wendy A Warr Wendy Warr & Associates, 6 Berwick Court Holmes Chapel, Cheshire
CW4 7HZ, England Tel/fax +44 (0)1477 533837 wendy@warr.com http://www.warr.com
Date: Fri, 17 Oct 1997
From: Bartow Culp
Subject: Re: Cheminformatics/Two new refs.
Thank you, Wendy, for inveighing against these self-aggrandizing portmanteau
words! They are the etymological equivalent to fingernails across a blackboard
(a metaphor that, like "dial tone" or "clock face", is disappearing from
reality). If we aren't careful about the legitimization of such words, who knows
where it will end? How about: "Physicochemoinformatician" - (one who does
physicoinformatics as well as chemoinformatics) "Paleochemoinformatician" - (one
who traffics in old chemoinformation) or finally, "Chemoinformamortician" - (one
who embalms and buries chemoinformation).
Date: Fri, 17 Oct 1997
From: Bob Buntrock
Subject: Re: Cheminformatics/Two new refs.
Bartow, Wendy (and all):
Cheminformatics is not necessarily an "awful neologism". After all, we're
chemists, and neologisms are part of the business. If cheminformatics
legitimately describes a function or a profession, let's go with it. Molecular
modeling was used for years to cover just about any aspect of chemistry and
computers, especially by managers who had no idea of what was going on. Before
we accuse a group of "image enhancing", gilding the lily, or whatever, let's
have some practitioners (or other computational chemists) define the term. Any
takers? Steve Bachrach? Anybody?
Where is your article appearing, Wendy?
Bartow, if we didn't have neologisms, we would have fewer things to gripe about,
wouldn't we? (Boring!)
-- Bob Buntrock Buntrock Associates
What is Cheminformatics?
Sat, 27 Nov 1999 23:47:58 +0000
Please excuse duplicate postings.
My thanks to everyone who sent me data, opinions, and job descriptions
for my talk in New Orleans on the discipline of cheminformatics and the
shortage of skilled staff in that field.
I promised to summarize it all for the lists but that is very difficult
in view of the sheer volume of information involved.
About two years ago, many people (including myself) considered that
"cheminformatics" was a nasty neologism. My survey this summer shows
that it is now an established discipline, although the tasks involved,
and even the name of the discipline, are not clearly defined yet.
"Cheminformatics" was preferred to "chemoinformatics" by most
respondents. One company uses "chemiiinformatics". There is still much
distaste for the job title "cheminformatician".
A zipped file of my PowerPoint slides is available on my Web site
http://www.warr.com/
I have been waiting for COMP Division to put all the slides from this
Symposium on the COMP web site at
http://membership.acs.org/C/COMP/
Unfortunately I think that this has not happened - though at least four
of the main headings on that home page give "404 Not Founds", so perhaps
the material is there but temporarily hidden.
My sincere thanks to all of you who helped in this survey.
Wendy
--
Dr Wendy A Warr
Wendy Warr & Associates, 6 Berwick Court
Holmes Chapel, Cheshire CW4 7HZ, England
Tel/fax +44 (0)1477 533837
http://www.warr.com/
chemweb: A list for Chemical Applications of the Internet.
1999 - 23:52:01 GMT