Talk:Cheminformatics

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Click2Drug.org[edit]

Dear all,

I tried to add the following external link to this page:

  • Click2Drug - Directory of computational drug design tools.

I think this link makes sense here:

  • it's not an advertising or a link to a commercial web site,
  • it is a serious page handled by people from the Swiss institute of Bioinformatics,
  • it gives a list of software and web servers dedicated to drug Design and chemoinformatics from several providers.

However, the link seems to have been removed (automatically?).

Would it be possible to reconsider this link, and eventually let it in this page in the section "external link"?

Thank you for your help, Vincent —Preceding unsigned comment added by Vzoete (talkcontribs) 07:57, 7 June 2010 (UTC)


Versus Computational Chemistry[edit]

The opening paragraph should probably delineate how Cheminformatics differs from Computational Chemistry. They are both listed, one after another, in List_of_academic_disciplines#Chemistry. swain (talk) 15:35, 13 April 2008 (UTC)

Commercial link-outs?[edit]

Is there a general policy how to deal with commercial link-outs? Here some ideas I was thinking about:

  • If a commercial supplier provides an excellent documentation for Cheminformatics I have no problems with commercial link-outs.
  • If this linking is only used to push web pages I do not like it at all.
  • I am sure Wikipedia has already some policies here, so where can we find them?

Joerg Kurt Wegner 18:15, 5 March 2006 (UTC)

Try looking here: WP:SPAM and Wikipedia:Wikiproject no ads --DV8 2XL 18:30, 5 March 2006 (UTC)

Cheminformatics or Chemoinformatics?[edit]

I got a request, why the term Cheminformatics and not the term Chemoinformatics contains the Wikipedia content. Here are my arguments, and I would like to have a discussion what you think about it.

  • In my opinion it is a combination of Chemistry and Informatics, since I do not see a reason for adding an additional "o" I prefer to have Cheminformatics as main term.
  • In my opinon in Chemometrics the "o" is o.k. to make the word readable.

JKW 11:01, 26 March 2006 (UTC)

Google statistic from 2001 to 2005 link-out JKW 18:59, 26 March 2006 (UTC)
Well on the proper spelling of Chemoinformatics. This is addressed in the following paper:
Brown, Frank. Editorial Opinion: Chemoinformatics – a ten year update Current Opinion in Drug Discovery & Development (2005), 8(3), 296-302.
Simply put, Chemo is used many more times in the medical community that Chem, even with words like chemoilluminesence. Also, when new discoveries are found scientist usually defer to that term and spelling cited by the original paper. The original spelling was Chemoinformatics and was first published in:
Brown, F.K. Chapter 35. Chemoinformatics: What is it and How does it Impact Drug Discovery Annual Reports in Med. Chem., Ed. James A. Bristol, (1998), Vol. 33, pp. 375.
So, any definition of Chem(o)informatic should simply state that the original spelling was Chemoinformatics. Its first citation in the literature was the paper given above and then first definition was:
Chemoinformatics is the mixing of those information resources to transform data into information and information into knowledge for the intended purpose of making better decisions faster in the area of drug lead identification and optimization.
Thanks for clarifying, and I have added a history section. I have also added a reference showing that the term graph was invented by a chemist. JKW 18:22, 31 March 2006 (UTC)

I just added another source for the relative popularity of the two terms, and also hopefully clarified the use of 'both' and recent' in the para. I wasn't comfortable with the existing ref pushing the shorter term being more 'popular' - a small private company in the Czech Republic whose company name uses the shorter term, and with no proper citation for the figures given. The source I have added gives more info, but Google search results are hardly scientific and many academic books have been published using the longer term Ray3055 (talk) 20:45, 5 February 2019 (UTC)

Quotes[edit]

The following Cheminformatics quotes should be added to Wikiquote JKW 12:16, 1 April 2006 (UTC)

External links modified[edit]

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