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From molecule name to SMILE and InchI using ChemSpider

Created: 2013-05-21 13:42:45      Last updated: 2013-05-21 13:51:06

Takes as input a list of molecule common names, converts them to ChemSpider identifiers and then gets their SMILES and InchI. Outputs the results as tab separated file. Please note you will need to register with ChemSpider to get your own security key.

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Taverna 3

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4036?size=60x60 Gb Luna De Ferrari

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Version History

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  1. From molecule name to SMILE using ChemSpider

    Created by Luna De Ferrari on Tuesday 21 May 2013 13:42:44 (UTC)

    Last edited by Luna De Ferrari on Tuesday 21 May 2013 13:44:12 (UTC)

  2. From molecule name to SMILE and InchI using ChemSpider

    Created by Luna De Ferrari on Tuesday 21 May 2013 13:49:57 (UTC)

    Last edited by Luna De Ferrari on Tuesday 21 May 2013 13:51:06 (UTC)



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