Talk:Cheminformatics

This  level-5 vital article is rated Start-class on Wikipedia's content assessment scale. It is of interest to the following WikiProjects:

Pharmacology Mid‑importance This article is within the scope of WikiProject Pharmacology, a collaborative effort to improve the coverage of Pharmacology on Wikipedia. If you would like to participate, please visit the project page, where you can join the discussion and see a list of open tasks.PharmacologyWikipedia:WikiProject PharmacologyTemplate:WikiProject Pharmacologypharmacology Mid This article has been rated as Mid-importance on the project's importance scale. Chemistry Mid‑importance This article is within the scope of WikiProject Chemistry, a collaborative effort to improve the coverage of chemistry on Wikipedia. If you would like to participate, please visit the project page, where you can join the discussion and see a list of open tasks.ChemistryWikipedia:WikiProject ChemistryTemplate:WikiProject ChemistryChemistry Mid This article has been rated as Mid-importance on the project's importance scale. Technology This article is within the scope of WikiProject Technology, a collaborative effort to improve the coverage of technology on Wikipedia. If you would like to participate, please visit the project page, where you can join the discussion and see a list of open tasks.TechnologyWikipedia:WikiProject TechnologyTemplate:WikiProject TechnologyTechnology Computing This article is within the scope of WikiProject Computing, a collaborative effort to improve the coverage of computers, computing, and information technology on Wikipedia. If you would like to participate, please visit the project page, where you can join the discussion and see a list of open tasks.ComputingWikipedia:WikiProject ComputingTemplate:WikiProject ComputingComputing ??? This article has not yet received a rating on the project's importance scale.

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 (talk • contribs) 07:57, 7 June 2010 (UTC)Reply

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)Reply

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)Reply

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

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)Reply

Google statistic from 2001 to 2005 link-out JKW 18:59, 26 March 2006 (UTC)Reply

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)Reply

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)Reply

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

Hello fellow Wikipedians,

I have just modified 5 external links on Cheminformatics. Please take a moment to review my edit. If you have any questions, or need the bot to ignore the links, or the page altogether, please visit this simple FaQ for additional information. I made the following changes:

• Added archive https://web.archive.org/web/20080305195144/http://chemxseer.ist.psu.edu:80/ to http://chemxseer.ist.psu.edu
• Added archive https://web.archive.org/web/20090824063157/http://moltable.ncl.res.in:80/ to http://moltable.ncl.res.in
• Added {{dead link}} tag to http://moltable.ncl.res.in/icci
• Added archive https://web.archive.org/web/20060614102725/http://joelib.sourceforge.net:80/wiki/index.php/Cheminformatics_and_mining_quotation to http://joelib.sourceforge.net/wiki/index.php/Cheminformatics_and_mining_quotation
• Added archive https://web.archive.org/web/20090430124318/http://www.zbh.uni-hamburg.de:80/study/what_is_CI/index.php?language=en to http://www.zbh.uni-hamburg.de/study/what_is_CI/index.php?language=en
• Added archive https://web.archive.org/web/20110316230931/http://daniel.iut.univ-metz.fr:80/yachs/ to http://daniel.iut.univ-metz.fr/yachs

When you have finished reviewing my changes, please set the checked parameter below to true or failed to let others know (documentation at {{Sourcecheck}}).

This message was posted before February 2018. After February 2018, "External links modified" talk page sections are no longer generated or monitored by InternetArchiveBot. No special action is required regarding these talk page notices, other than regular verification using the archive tool instructions below. Editors have permission to delete these "External links modified" talk page sections if they want to de-clutter talk pages, but see the RfC before doing mass systematic removals. This message is updated dynamically through the template {{source check}} (last update: 5 June 2024).

• If you have discovered URLs which were erroneously considered dead by the bot, you can report them with this tool.
• If you found an error with any archives or the URLs themselves, you can fix them with this tool.

Cheers.—InternetArchiveBot (Report bug) 04:01, 21 November 2016 (UTC)Reply