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Decoys are...

Decoys are important for judging the performance of molecular docking algorithms.

If you want decoys for a molecule in ZINC, say 556, use

If you want decoys in 2D:

Allowed args:

  • count: How many
  • resolve: Look up zinc_ids if possible
  • unique: Only return unique decoys (if you POST with "for" as a file instead)

You could also do decoys "by hand" to have more control:,.2=zinc55&mwt-between=270,330&logp-between=1.8,2.4&purchasability=for-sale

DUDE is a free directory of useful decoys for virtual screening.

For more information on preparation see