Comments on: A Growing Collaboration with Publishers – Nature Initiates Deposition of Spectral Data Onto ChemSpider http://www.chemspider.com/blog/a-growing-collaboration-with-publishers-nature-initiates-deposition-of-spectral-data-onto-chemspider.html Building Community for Chemists Fri, 10 Feb 2012 11:07:05 +0000 hourly 1 http://wordpress.org/?v=3.1.2 By: Antony Williams http://www.chemspider.com/blog/a-growing-collaboration-with-publishers-nature-initiates-deposition-of-spectral-data-onto-chemspider.html/comment-page-1#comment-10202 Antony Williams Mon, 24 Dec 2007 12:22:46 +0000 http://www.chemspider.com/blog/?p=312#comment-10202 If I am interpreting your request correctly you are requesting that other structures contained within the paper can be available as nested links inside the ChemSpider record? If so, it's a good request. What this require though is that the relationship between these is formed through some submission process. If InChIs were scattered across the paper (DOI) then we could form this relationship on the fly. However, this example required the submission of the analytical data associated with a single structure. We would need to have a batch submission for all structures from the paper (already being tested!) and somebody would need to manually perform the batch submission OR we would need to grab the structures through some scraping process (via InChIs again). If I am interpreting your request correctly you are requesting that other structures contained within the paper can be available as nested links inside the ChemSpider record? If so, it’s a good request. What this require though is that the relationship between these is formed through some submission process. If InChIs were scattered across the paper (DOI) then we could form this relationship on the fly. However, this example required the submission of the analytical data associated with a single structure. We would need to have a batch submission for all structures from the paper (already being tested!) and somebody would need to manually perform the batch submission OR we would need to grab the structures through some scraping process (via InChIs again).

]]> By: Egon Willighagen http://www.chemspider.com/blog/a-growing-collaboration-with-publishers-nature-initiates-deposition-of-spectral-data-onto-chemspider.html/comment-page-1#comment-10200 Egon Willighagen Mon, 24 Dec 2007 12:17:31 +0000 http://www.chemspider.com/blog/?p=312#comment-10200 While browsing the entry in ChemSpider, I felt the urge to look at the other entries related to this DOI, but found this not yet to be possible... please consider this a feature request: a link in the entry page to find all molecules associated with that DOI. While browsing the entry in ChemSpider, I felt the urge to look at the other entries related to this DOI, but found this not yet to be possible… please consider this a feature request: a link in the entry page to find all molecules associated with that DOI.

]]> By: Egon Willighagen http://www.chemspider.com/blog/a-growing-collaboration-with-publishers-nature-initiates-deposition-of-spectral-data-onto-chemspider.html/comment-page-1#comment-10199 Egon Willighagen Mon, 24 Dec 2007 12:09:28 +0000 http://www.chemspider.com/blog/?p=312#comment-10199 Mmm... a shame that the paper webpage does not list the Chemspider entry as Supp Info or so in the 'Article Tools' section... nothing we can't do with a nice userscript, of course (see the Userscript in Life Sciences paper in BMC Bioinformatics)... Antony, something to think about. Except for the script it only requires a page on ChemSpider that allows checking if CS has extra information on the chemistry behind a DOI. The idea is very like the 'Comments from Blogspace" for DOIs... Though, ideally, Nature would add that entry to their default 'Article Tools' menu.... Mmm… a shame that the paper webpage does not list the Chemspider entry as Supp Info or so in the ‘Article Tools’ section… nothing we can’t do with a nice userscript, of course (see the Userscript in Life Sciences paper in BMC Bioinformatics)… Antony, something to think about. Except for the script it only requires a page on ChemSpider that allows checking if CS has extra information on the chemistry behind a DOI. The idea is very like the ‘Comments from Blogspace” for DOIs… Though, ideally, Nature would add that entry to their default ‘Article Tools’ menu….

]]> By: Joerg Kurt Wegner http://www.chemspider.com/blog/a-growing-collaboration-with-publishers-nature-initiates-deposition-of-spectral-data-onto-chemspider.html/comment-page-1#comment-10063 Joerg Kurt Wegner Sat, 22 Dec 2007 18:20:09 +0000 http://www.chemspider.com/blog/?p=312#comment-10063 Great news, and as said, I think open standards are the key, open access is nice to have, but not a must. Great news, and as said, I think open standards are the key, open access is nice to have, but not a must.

]]> By: Antony Williams http://www.chemspider.com/blog/a-growing-collaboration-with-publishers-nature-initiates-deposition-of-spectral-data-onto-chemspider.html/comment-page-1#comment-10021 Antony Williams Sat, 22 Dec 2007 03:43:32 +0000 http://www.chemspider.com/blog/?p=312#comment-10021 Egon...good question...check out http://www.chemspider.com/Chemical-Structure.69959.html and scroll down to Supplementary Information just above the spectra and you will see the paper linked from there. Clearly this is just the beginning and we have more design work to do etc but this does send the message of what could be feasible as we move forward. Egon…good question…check out http://www.chemspider.com/Chemical-Structure.69959.html and scroll down to Supplementary Information just above the spectra and you will see the paper linked from there.

Clearly this is just the beginning and we have more design work to do etc but this does send the message of what could be feasible as we move forward.

]]> By: Egon Willighagen http://www.chemspider.com/blog/a-growing-collaboration-with-publishers-nature-initiates-deposition-of-spectral-data-onto-chemspider.html/comment-page-1#comment-10009 Egon Willighagen Fri, 21 Dec 2007 21:51:52 +0000 http://www.chemspider.com/blog/?p=312#comment-10009 Sounds like a breakthrough, assuming the data will be open etc. Does this also mean that you may link the molecules in that paper with the article? I'm really happy to see you make progress. Sounds like a breakthrough, assuming the data will be open etc. Does this also mean that you may link the molecules in that paper with the article? I’m really happy to see you make progress.

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