News of 2024-06 Jun: Difference between revisions

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.

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-News for 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.
-* ZINC-22 2D is now over 60 billion unique molecules*. From this:
+we fixed a typo bug in the cartblanche22 download scripts.
-** 16 B are HAC 26 or less
-** 10 B are HAC 25 or less
-** 1B are HAC 20 or less
-All are searchable in Smallworld (swp.docking.org) and Arthor (arthorp.docking.org), all for sale, and all downloadable as SMILES.
-* ZINC-22 3D is now over 6.3B distinct purchasable molecules in biologically-relevant, ready-to-dock formats.
-** 6.1B to HAC26.
-** 4.3 B to HAC25.
-** 1B to HAC21.
+we pushed more molecules to "/zinc-22y/" including H20 and H21. More to come soon.
 [[Category:News]]