Retrieve analogs given a query molecule (sdf) and a database (sdf)
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Updated
Dec 3, 2021 - Python
Retrieve analogs given a query molecule (sdf) and a database (sdf)
Repository for files related to DEREP-NP dereplication database
Artifical "saturation" of Bemis-Murcko scaffolds retrieved with DataWarrior.
Haskell code to find substructures within lists along with their selectors.
Tutorial for Oklahoma State University HEP Group
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