Jean-Claude Bradley recently blogged about an all too familiar issue which you will need to read about there to understand this post.

They’ve done work, now they have to remember what they’ve done in one place in an updatable way w/o creating a bureaucratic headache. At ChemSpider, organisation of data in a cost-effective manner has caused headaches every now and then though it has also been one of the biggest drivers of innovation.

I have followed from time to time but the activity around what is called ‘Open Notebook Science’ is reaching an industrial scale.

The ONSchallenge site, which i looked at the most closely, is annotated with links to comprehensive experimental, structural and relevant external data sources but still is reader friendly.

So anyway, after some discussion over at Usefulchem, i wrote a small script to collect google spreadsheet urls (that link directly to the xLS format) and associate them with the wiki page on which they are linked from.

This is only at the first level of connections intially (starting from this base url) and no extra metadata such as InChI are collected.. yet. But we have to determine the best format for this service before it is scaled.

e.g. a web service might be a good idea (but it could face spam requests) or perhaps a locally run script (which would assume configuration by every potential user is convenient).

The generated excel spreadsheet is << here >>.

Stumble it!

One Response to “UsefulChemSpider”

  1. Jean-Claude Bradley says:

    Will – thanks !- It worked great to get all the GoogleDocs without having to publish each one manually. It probably works because all the spreadsheets are already publicly editable. Added the output to our backup sheet and it did the proper backup fine.

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