Enumerated database: Difference between revisions

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The enumerated database of the "Hartenfeller reactions" and other reliable chemistry is called Iron or Fe.  
We have several enumerated databases.  


Fe can be found on our cluster at
1. Enamine (and other vendors). These enumerations are done by the vendors themselves.
/nfs/exj/Fe/


Using Chemspace Building Blocks (480K) the enumerations are in
2. The enumerated database of the "Hartenfeller reactions" and other reliable chemistry is called Iron or Fe.  [[Fe database]]


/mnt/nfs/exj/Fe/Chemspace0324/ChemspaceBB_enumerated
3. The enumerated database of the Bespoke chemistry reactions is called Iridium or Ir.  [[Ir database]]
 
4. ZINC database [[ZINC]]
 
5. Enumerated databases by vendor.
* [[CHEMryia]] the Otava database.
* [[Kz-ChBr]] the Kz Chembridge database
* other vendor-specific databases using vendor BB


there are also some in /mnt/nfs/exj/Fe/Chemspace0324/170split




[[Category:Chemical Space]]
[[Category:Chemical Space]]
[[Category:Databases]]
[[Category:Databases]]

Latest revision as of 21:35, 17 May 2024

We have several enumerated databases.

1. Enamine (and other vendors). These enumerations are done by the vendors themselves.

2. The enumerated database of the "Hartenfeller reactions" and other reliable chemistry is called Iron or Fe. Fe database

3. The enumerated database of the Bespoke chemistry reactions is called Iridium or Ir. Ir database

4. ZINC database ZINC

5. Enumerated databases by vendor.

  • CHEMryia the Otava database.
  • Kz-ChBr the Kz Chembridge database
  • other vendor-specific databases using vendor BB