The building of zinc-22

This is the story of the building of ZINC-22.

We designed the system in 2020. We started enunmeration around Sept of 2020.

We built flat out until about Sept 2022. Then we stopped to write papers and grants.

We resumed building in Aug 2023. But really, this was a clean up of the sprint of 2021 and 2022.

by May 2024 we had caught up with most of the processing of molecules that had been built during 2021-2022. We still have a few hundred million that have been built but not processed.

In May 2024 we did a diff, thus molecules in 2D for which no 3D structure exists. Some of these because they were not ready to build when we had attempted to build, some because they failed, some because they got lost in processing, and some for other reasons.

We have a diff "_31", which started being built in May 6, 2024. It will be loaded as "zinc-22y". the diff only goes to H24 because we are still processing H25, H26, H27, H28, H29.

macromolecules first attempt was also in May 2024.

so now, we are are

• a. finishing the processing of the first set (up to _27)
• b. processing the "diff" files to H24, greatly increasing the coverage of small molecule space.
• c. we plan to finish off H25, do a diff, and then also process those.
• d. likewise H26, H27, H28, H29, if that is possible.