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Re: opendata QSAR data sets?: msg#00052

science.chemistry.blue-obelisk

Subject: Re: opendata QSAR data sets?


On May 29, 2007, at 5:57 AM, Egon Willighagen wrote:


Hi QSAR-interested among us,

should we attempt to set up a repository for opendata QSAR data sets, like [1]

What is [1]?

This repository would be one big set of CML documents with properly annotated
properties. I think it would be interesting to see RDF/SPARQL or similar
things in place to allow creating subsets for one specific property as input
to statistics software.

Sounds like a good idea

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