News of 2024-08 Aug

This is a draft - stand by for final version

ZINC-22 3D

• new layer "y" in /zinc-22y/ now approaching 1 billion molecules. These did not exist before May 1, 2024.
• macrocycle layers (w, e, f) are still being tested. We reserve the right to replace, revise, or remove
• we load 3D to H29. Macrocycles and in stock are loaded to H49. (new!)
• new molecules mostly in /zinc-22n and zinc-22x/ in H25,H26,H29 as well as /zinc-22y/ (which is up to H24)
• total now visible around 6.7B (sorry, I know I promised more, working)

AWS

• ZINC-22 is being updated in AWS. As of this moment:
  • zinc-22x is at H26P280 almost done
  • zinc-22n is incomplete, still working
  • zinc-22y is at H22P110, working
  • zinc-22w,e,f (macrocycles) are updated.
  • zinc-22v and zinc-22s were refreshed and have been re-sync'd
  • all other layers re-synced.
  • for more see ZINC22:Layers

Wynton

• ZINC-22 has been updated 100% (as of 8/8/24) in Wynton
• we update it almost every day (with another 10 million of molecules or so)

Sets and Dirs

• the sets and dirs directories of split_database_index files have been updated on gimel and synced to Wynton and AWS.
• We save old versions of the “sets” files. What was previously current until today has been saved as 2024-08-09
• For more about selecting tranches in ZINC-22, see Selecting tranches in ZINC22.

ZINC-22 2D

• new 2d-all in /nfs/exb/zinc22/2d. correctly reflected in tranche browser counts, and searchable in arthor and smallworld.
• total around 77 B.

In the next period

• we are updating zinc-22a (Enamine informer set)
• we are updating zinc-22g (ZINC20 informer set)
• testing w, e, f for macrocycles. Active research. Changes likely.
• expect growth in /zinc-22y/ H20-24, /zinc-22n,x/ H25-29.