Cluster 7:Libraries: Difference between revisions

From DISI
Jump to navigation Jump to search
Line 8: Line 8:


== Rule of 5 (1) ==
== Rule of 5 (1) ==
* FS5_Ro5_H05-29.smi. 33.8M unmapped.
 
* FS5_Ro5_H30-32.smi.  248M unmapped.
{| class="wikitable"
* FS5_Ro5_H33-34.smi.  542M unmapped.
|-
* FS5_Ro5_H35-38.smi. 503M unmapped.
! File !! Size !! mapped !! unmapped(arthor)
|-
| FS5_Ro5_H05-29.smi || 955M ||  921.2 (96%) || 33.8M (14.7M unique)
|-
| FS5_Ro5_H30-32.smi ||  1.728B || 1.48B (85.6%) || 248M (105M unique)
|-
| FS5_Ro5_H33-34.smi ||  1.40B || 855M (61.2%) || 542M (245M unique)
|-
| FS5_Ro5_H35-38.smi ||  920M || 417M (45%) || 503M (242M unique)
|}


== Beyond Rule of 5 (2) ==
== Beyond Rule of 5 (2) ==

Revision as of 18:40, 1 May 2026

These are the cluster 7 libraries.

  • Last update: Apr 30, 2026

Chem-Space.com Freedom Space 5.0

Collections

  • FS5_H05_29-all.smi from all three sets (1), (2), (3) HAC 5 TO 29, below:
  • FS5_all.smi All Freedom Space 5.0 molecules. 100% enumeration to HAC29. Less beyond.

Rule of 5 (1)

File Size mapped unmapped(arthor)
FS5_Ro5_H05-29.smi 955M 921.2 (96%) 33.8M (14.7M unique)
FS5_Ro5_H30-32.smi 1.728B 1.48B (85.6%) 248M (105M unique)
FS5_Ro5_H33-34.smi 1.40B 855M (61.2%) 542M (245M unique)
FS5_Ro5_H35-38.smi 920M 417M (45%) 503M (242M unique)

Beyond Rule of 5 (2)

File Size mapped unmapped(arthor)
FS5_BRo5_H12_29.smi 75.6M 73.5M (97.2%) 2.1M (1M unique)
FS5_BRo5_H30_36.smi 1.45B ?? ??
FS5_BRo5_H37_41.smi 2.43B ?? ??
FS5_BRo5_H42_60.smi 1.04B ?? ??

Fvn QQQ (3)

File Size mapped unmapped(arthor)
FS5_F5fvn_H10_29.smi 100 B 90B 10B
FS5_F5fvn_H30_34.smi 10 B 9B 1B
FS5_F5fvn_H35_39.smi 1 B 900M 100M
FS5_F5fvn_H40_72.smi 1 B 900M 100M

Enamine

Products

  • M_H11_22.smi 1.526 B
  • S_H11_25 2.1B
  • 23-24. 1.5 B
  • 25 1.5 B
  • 26 2.5 B
  • 27 4 B
  • 28 6 B
  • 29 10B
  • 30 to 40. 10 B each.
  • 40-50 10 B
  • 60-99. 1 B

--- ok ---- things to update in table

    2100290 mapsFS5_BRo5_H12_29.smi
   33814790 mapsFS5_Ro5_H05-29.smi
  248470659 mapsFS5_Ro5_H30-32.smi
  542237295 mapsFS5_Ro5_H33-34.smi
  502918971 mapsFS5_Ro5_H35-38.smi

--ok end of things to update ----

File Size mapped unmapped(arthor)
M_05_29.smi 100 B 90B 10B
S_H11_25.smi 2.1 B 9B 1B
S_30_40.smi 1 B 900M 100M
M_30.smi 100 B 90M 10M
M_31.smi 100 B 90M 10M
M_32.smi 100 B 90M 10M
M_33.smi 100 B 90M 10M
M_34.smi 100 B 90M 10M
M_35.smi 100 B 90M 10M
M_36.smi 100 B 90M 10M
M_37.smi 100 B 90M 10M
M_38.smi 100 B 90M 10M
M_39.smi 100 B 90M 10M

WuXi

XtalPi

OnePot

KzChBr

MolPort

Cluster 7 Libraries