don't index (LSH) compounds with duplicate AP fingerprints

girke-lab / chemmine-ei

GNU General Public License v3.0

1 stars 0 forks source link

don't index (LSH) compounds with duplicate AP fingerprints #52

Closed khoran closed 10 years ago

khoran commented 10 years ago

we now store a unique list of descriptors and only index them. This create a problem in going back from descriptors to one of many compounds it may have come from. Another issue will address this.