News of 2024-06 Jun: Difference between revisions

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.

@@ Line 1: / Line 1: @@
-* 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")
-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.
-** 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.
-* 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]]