[Zinc-fans] schema and data, or ID and SMILES string

[John J. Irwin]

Hi Michael

Thanks for your interest in ZINC. We only give away what you see on the
website. However, we would be happy to discuss tightly integrating ZINC
with your application, perhaps via an XML RPC or SOAP/WDSL type
interface, if that is of interest to you. I am buried in a grant this
week. However, if this interests you, please write back off the list,
and we can talk about ways we might work together, perhaps next week.

John


Michael K Wasnick wrote:
> Hi,
>  
> (I scanned as far back as June 2006, sorry in advance if this question
> has already been answered.)
>  
> Is it possible to download the schema and the data for the MYSQL 4.1
> ZINC database? 
> If not, is it possible to get just a dump of the table that has the
> ZINC identifier for each compound and its SMILES string? 
>  
> My interest is to integrate the ZINC data into with other data that we
> have in-house, and the main piece of functionality that I need to
> build (or modify if someone else built it and it is available) is to
> be able to do a substructure search of ZINC behind our firewall. 
>  
> Best regards,
> Michael Wasnick
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