News of 2024-06 Jun: Difference between revisions
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** 1.0 B to HAC21. | ** 1.0 B to HAC21. | ||
* We have built a further 4-5 B that are in progress and will appear soon. | * We have built a further 4-5 B that are in progress and will appear soon. | ||
we fixed a typo bug in the cartblanche22 download scripts. | |||
we pushed more molecules to "/zinc-22y/" including H20 and H21. More to come soon. | |||
[[Category:News]] | [[Category:News]] | ||
Latest revision as of 20:52, 24 September 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.
we fixed a typo bug in the cartblanche22 download scripts.
we pushed more molecules to "/zinc-22y/" including H20 and H21. More to come soon.