ZINC-22:Revision of Feb 1 2022: Difference between revisions

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-- John Irwin
-- John Irwin
[[Category:News]]

Latest revision as of 16:26, 23 May 2024

We are making the following changes to ZINC-22.

Around Jan 1, 2022, we created "2d-12", the latest version of the database.

Around Jan 28, we discovered a canonicalization/duplication problem.

From Feb 1-7, we created a new version, 2d-15, that eliminated the duplication problem (estimated 99% fixed).

We had built molecules in /zinc-22f/ and /zinc-22e/. These have all been removed from ZINC-22.

We have begun 3D building (Feb 7th) of 2d-15 as /zinc-22d/ and /zinc-22c/.

-- John Irwin