I will be writing an article in the next couple of months regarding the value of Public Chemistry Databases. I am going to write this article with a bias towards databases with “structure intelligence” – databases where chemical structures form a part of the accessible content.

Rich Apodaca has already blogged about  Thirty Two Free Chemistry Databases and of course I will be reviewing many of these. There are others that have popped up since Rich posted.

I am interested in your suggestions of online chemistry resources that you use and that you find of value. Either comment here on the blog or send me an email to antonyDOTwilliamsATchemspiderDOTcom. Thanks for your help.

Stumble it!

4 Responses to “Request for Input from the Community – Public Chemistry Databases”

  1. Egon Willighagen says:

    Mind the many, many smaller databases. Make sure to check the NAR database issues, and google for metabolite databases, which are slightly out of the chemistry arena.

    For the rest:
    1.I would be very interested in your analysis how to link these resources (beyond being indexed in ChemSpider). For example, what attempts have been made to integrate different resources.
    2.It would be nice if you could define some descriptors to provide details, and maybe even some non-linear mapping to visualize the databases in 2D space. Some suggestions are: number of entries, number of molecular properties, openness, support for (open) standard X, … Some of these are classes, and you will likely need a non-linear distance measure.

  2. Egon Willighagen says:

    For example, check out:


    aka http://biospider.ca.

  3. Antony Williams says:

    Egon…are there any specific smaller databases you want to point out?
    Can you be more specific with question 1?
    Question 2…acknowledged. I’ll add to the list of things to do if we ever have time. It’s way down the list now. You might want to mention to PMR to consider it as he builds the WWMM

  4. Wayne L Hamilton says:

    Hello Antony:
    Am requesting process design specifications for production of biodiesel for home heating from cyanobacterial ‘broth’ at single residential scale and complexity. Propose assigning this to a master’s student at CICESE in Ensenada; or trying it myself in southwest Utah. Is this realistic?
    I sent similar letters to: http://www.greenfuelonline.com/, http://www.solixbiofuels.com/
    http://www.greenstarusa.com/, http://www.greenshift.com/news.php?id=97
    Happy New Year, and thanks, Wayne

    Wayne L. Hamilton PhD

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