Revision as of 06:56, 22 June 2015 by Frodo
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:
- count: How many
- resolve: Look up zinc_ids if possible
- unique: Only return unique decoys (if you POST with "for" as a file instead)
For more information on preparation see