Enumerated database: Difference between revisions
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Revision as of 21:28, 17 May 2024
The enumerated database of the "Hartenfeller reactions" and other reliable chemistry is called Iron or Fe.
Fe can be found on our cluster at /nfs/exj/Fe/
Using Chemspace Building Blocks (480K) the enumerations are in
/mnt/nfs/exj/Fe/Chemspace0324/ChemspaceBB_enumerated
there are also some in /mnt/nfs/exj/Fe/Chemspace0324/170split