[Zinc-fans] new subsets

[Martin Stoermer]

Hi John,

ah yes, error is between seat and keyboard....

Mea culpa: I didn't read that bit. So just to ask the obvious  
question, sets #1 and #21 don't intersect? i.e. there are now ~3  
million leadlike molecules available, some 2 million "now", and 1  
million more made to measure?

thanks again for a great resource,
_Martin


On 26/02/2009, at 4:32 PM, John J. Irwin wrote:

> 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
>>
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