Here’s a quick update on my blog about SMILES, CAS and InChI in blogs: Greasemonkey \nlast sunday. The original download was messed up :( You can download a new version at userscripts.org.
\n\nThis new version also supports chem:compound, for any chemical. For example:
Remember that it only works for properly marked up content, as described in Including SMILES, CML and InChI in blogs .\nThe HTML source code of the above example looks like (in RDFa):
\n\n<ul><li>\n<span xmlns:chem=\"http://www.blueobelisk.org/chemistryblogs/\"\n class=\"chem:compound\">isopropyl alcohol</span>\n</li></ul>\nThe current script only adds search links to PubChem and\nGoogle, but the possibilities are endless, and potentially very powerfull.\nHere are some future ideas.
\n\nMaking a link to the NMRShiftDB.org website to predict 13C or\n1H NMR from a SMILES, and InChI likely too, is easy, if the website provides a URL to do this.\n(I will discuss this with Stefan.)
\n\nThis would involve some more work, but this most certainly possible too, given that we actually have\na website around which allows downloading 3D coordinates given a SMILES or InChI. While a simple approach\nwould be to make a popup with Jmol that takes the URL to that 3D coordinate website,\nit could be extended using Ajax to query the 3D structure first, and depending on success, show\nJmol or a message “Could not find 3D coordinates”.
\n\nThis is likely the most exiting possibility. I blogged about CMLRSS many times \nnow (check the AVI, the article, etc), and combining these two\ntechnologies will take the semantic, chemistry internet to the next level. CMLRSS describes how CML\ncan be embedded in blog items (e.g. Blogging chemistry on blogspot.com ),\nbut really works for any XHTML.
\n\nConsider this mockup: add CML content to your blog item, containing molecular properties, such as its\nNMR peaks, elemental analysis, etc. This will not show up in your blog item, so that the user is not\nbothered with implementation details. Now, a userscript will now about the CML content, as it has access\nto the whole content of the page. The visible text will mention the molecule for which CML contains\nexperimental or other details. Using the <span class=\"chem:compound\"/> technology shown above, it is\npossible to link that compound to this CML bit (details to follow in this blog in January 2007). The\nuserscript will then on the fly create a popup for the compound name in the visible text to show those\nexperimental details.
How about that? Comments and other ideas are more than welcome!
\n\nGreasemonkey allows users to decide which scripts to run on a website, and which not. If you, as blogger\nor XHTML editor, want to force a script like the above to be run, that should be possible too.\nGreasemonkey scripts are written in JavaScript, so including them on the server side should be\npossible too. I might explore this option soon too.
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