News of June-24: Difference between revisions
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* 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 | |||
* ZINC-22 2D is now over | ** 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 are searchable in Smallworld (swp.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. | |||
[[Category:News]] | [[Category:News]] |
Latest 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.