[Zinc-fans] All purchasable -Lead like subset?

[John J. Irwin]

Hi Rima

Sorry to take so long to get back to you. The "lead like" subset should 
be entirely purchasable. If you find compounds in there that are not 
purchasable, please report them to me (off the list) so that I can fix them.

One reason why compounds in the "lead like" subset might not be 
purchasable is that they were purchasable, but have since become 
depleted. We are interested and take seriously all reports that can help 
us to improve ZINC.

The purchasing information for lead-like is found at the bottom of the 
lead-like download page.

ZINC http://blaster.docking.org/zinc/ ->  Click "Property-Filtered 
Subsets" ->
http://blaster.docking.org/zinc/subset1/ -> Click "Lead like" ->
http://blaster.docking.org/zinc/subset1/1/index.html -> go to bottom of 
page
http://blaster.docking.org/zinc/subset1/1/1_purch.xls  aka "Purchasing 
information"

Hope this helps.

John


Rima Chaudhuri wrote:
>
> Hello All!
>
> A quick query. Is there a way I can create a subset of ALL-PURCHASABLE 
> _LEAD-LIKE  compounds from the homepage. I ideally would like to 
> download the sdf or mol2 files for all lead like compounds that are 
> also purchasable!
> Also, the individual vendors contain a list of purchasable information 
> but no separate sub-set for lead-like compounds? Is there a way I can 
> create my own?
> Thanks in advance
>
> -- 
> -Rima
> ------------------------------------------------------------------------
>
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