News of 2024-06 Jun: Difference between revisions

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* ZINC-22 2D (SMILES) is now over 61 billion distinct molecules*. From this:  
* ZINC-22 2D (SMILES) is now over 76.8 billion distinct molecules*. From this:  
** 21.1 B are HAC 26 or less ("lead like")
** 24.4 B are HAC 26 or less ("lead like")
** 14.5 B are HAC 25 or less
** 14.8 B are HAC 25 or less
** 1.0 B are HAC 20 or less ("fragment- and small lead-like")
** 1.0 B are HAC 20 or less ("fragment- and small lead-like")
All are searchable in Smallworld (swp.docking.org) and Arthor (arthorp.docking.org), all for sale, and all downloadable as SMILES.
All are:
 
* searchable in Smallworld (swp.docking.org)
* searchable in Arthor (arthorp.docking.org)
* all for sale, >95% of these on REAL terms (6 weeks, low-cost parallel synthesis, ~80% success rate)
* all downloadable as SMILES.


* ZINC-22 3D is now over 6.3 B distinct purchasable molecules in biologically relevant, ready-to-dock formats.  
* ZINC-22 3D is now over 6.3 B distinct purchasable molecules in biologically relevant, ready-to-dock formats.  
** 6.1 B to HAC26.
** 5.8 B to HAC26.
** 4.3 B to HAC25.
** 4.2 B to HAC25.
** 1.0 B to HAC21.
** 1.0 B to HAC21.
* We have built a further 5 B that are in progress and will appear this year.
* We have built a further 4-5 B that are in progress and will appear soon.


[[Category:News]]
[[Category:News]]

Revision as of 16:31, 20 June 2024

  • ZINC-22 2D (SMILES) is now over 76.8 billion distinct molecules*. From this:
    • 24.4 B are HAC 26 or less ("lead like")
    • 14.8 B are HAC 25 or less
    • 1.0 B are HAC 20 or less ("fragment- and small lead-like")

All are:

  • searchable in Smallworld (swp.docking.org)
  • searchable in Arthor (arthorp.docking.org)
  • all for sale, >95% of these on REAL terms (6 weeks, low-cost parallel synthesis, ~80% success rate)
  • all downloadable as SMILES.
  • ZINC-22 3D is now over 6.3 B distinct purchasable molecules in biologically relevant, ready-to-dock formats.
    • 5.8 B to HAC26.
    • 4.2 B to HAC25.
    • 1.0 B to HAC21.
  • We have built a further 4-5 B that are in progress and will appear soon.