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

Michael K Wasnick mwasnick at u.washington.edu
Mon Jun 18 14:29:59 PDT 2007


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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://blur.compbio.ucsf.edu/pipermail/zinc-fans/attachments/20070618/f1ce2cb8/attachment.html


More information about the Zinc-fans mailing list