[Zinc-fans] new subsets

[John J. Irwin]

Hi Martin

Martin Stoermer wrote:
> Hi folks,
>
> I was updating our local copies of Zinc today and noticed the "leads- 
> now (#21)" and "frags-now (#22)" sets. These are more recent than  
> subsets #1, #2, but appear have the same criteria (and lit.  
> reference), and are just bigger. What does the "now" mean? the most  
> recent copy, or the more urgent, "I want my compounds now!"
>   
At the top of the "by property" page we tell you what subsets 21-30 are:
"immediate availability subsets", numbers 21-30 (for delivery in 7-14
days max).  "now" seemed short and mnemonic, if not exactly precise.

Some people are only interested in compounds if they can get them fast,
say within 2 weeks.  As you know, ZINC includes millions of compounds
that are "make on demand", which can take 6-10 weeks to arrive. So now
you have a choice:

Want a bigger screening collection, covering more of chemical space,
even if you have to wait a bit?  Use subsets 1-10.

Can't wait, and are prepared to forgo some of chemical space for speed
of delivery?  Subsets 21-30 are for you.

You don't want any trouble, so you're willing to forgo nitros, thiols,
thioethers and possible michael acceptors, even at the expense of giving
up significant coverage of chemical space? Subsets 11-20 are for you.
> enquiring minds need to know...
>   
As always, there is a danger of confusion in the marketplace if we make
too many subsets.  We hope this design is clear, but we welcome your
comments, as always.  We have very thick skin.
> BTW, I like "lugs" rather than the alternative "dreads"
>   
thank you. we are keeping a tally  ;-)
> cheers,
> Martin
>
> _______________________________________________
> Zinc-fans mailing list
> Zinc-fans at docking.org
> http://blur.compbio.ucsf.edu/mailman/listinfo/zinc-fans
>