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22 11 2008

EPISuite Calculations for ChemSpider Database Took 4 Months

Posted by: Antony Williams in How ChemSpider Runs, Quality and Content

Copyright©2008 Antony Williams

I announced in July of this year that we were performing predictions using the EPISuite of prediction tools.I’m glad to say that one of our servers is now in “cooling mode” after running red hot for over 4 months. We’ve been feeding all single component ChemSpider entities with Molecular Weight <500 (non-radicals). The results are now posted on ChemSpider under the EPISuite tab. We hope you find them of value and offer our thanks to the EPA for providing us access to the software.

Stumble it!

This entry was posted on Saturday, November 22nd, 2008 at 10:36 pm and is filed under How ChemSpider Runs, Quality and Content. You can follow any responses to this entry through the RSS 2.0 feed. You can leave a response, or trackback from your own site.

2 Responses to “EPISuite Calculations for ChemSpider Database Took 4 Months”

  1. Mac says:
    February 16th, 2012 at 10:53 pm

    Hello,
    When I am looking at EpiSuite values through Chem-Spider – what version of EpiSuite is that referencing? I see the latest version of EpiSuite is EPI 4.10 (January 2011). Is that latest information reflected in ChemSpider?

    Thanks!

  2. Antony Williams says:
    February 16th, 2012 at 11:07 pm

    My recollection is that the EPISuite version we used to do the calculations was the 2008 version. We have NOT recalculated using later versions of EPI Suite.

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