Currently in progress

This page collects things that are currently in progress and therefore may be incomplete.

  **DRAFT** I will write more soon. 

Release of Iron-24

We are enumerating the Hartenfeller/Enamine/public reactions. This and the Ir database below, are the Enumerated databases enabled by the Chemistry commons

• Fe database Iron uses ChemSpace 480K BB library.

We are also enumerating, using the same reactions, the following:

• CHEMryia - based on Otava BB
• Kz-ChBr - based on ChemBridge BB
• SIALmod - based on Sigma Aldrich BB

Release of Iridium-24

We are enumerating the bespoke libraries (Ellman, Young, others)

• Ir database
• CB Iridium

Updates of ZINC-22 3D database

We are processing /zinc-22y/.

• done up to H17
• H18, H19, H20 well underway
• H21 calculated but not re-packed
• H22 calculation in progress
• H23, H24 on deck
• H25 and beyond, we are waiting for the first pass load to finish.

Refactored version of TLDR

tldr-dev.docking.org is available for testing.

Informer set updates

== /zinc-22a/ Enamine in stock. Update is in progress and will appear soon. This is "the other informer set"

== /zinc-22g/ ZINC20 in stock The informer sets. This will be updated in June.