Zinc15 decoys

• • • in progress by jji ***

You can use ZINC15 to create decoys in three ways.

1. for an individual molecule by ZINC ID

2. for a list of ZINC IDs, in a file, one per line

3. For a gene (e.g. DRD2). It will be for all ligands for this gene at 10uM.

?for=ZINCID or -F for=@zincids.txt or ?resource=anyresource&key=anyidentivier

1) dissimilarity is per "query" compound not over the whole set... so it's possible that very diverse targets could get things that are not really decoys 2) it will generate for the entire resource (i.e. 3000 DRD2 compounds) 3) charge is as-is but for resources it uses the charge of existing protomers or and substances i've gotta go, the family is restless