Compound from library of round 1 doesn't appear in library of round 3

Started by Bruno Kestemont

Bruno Kestemont Lv 1

I copied the top ligand from round 1 puzzle 2616 to round 3 and I loaded it to library. Surprise, the library returns no compound higher than 0.45 similarity. Shared to scientist with title "Bug not in library"

Sciren Staff Lv 1

Hi @"Bruno Kestemont" Thank you for reporting this! Are you running Devprev at the moment? If you are, would you be able to copy the SMILES string of the original compound from round 1 and the one you are using to search in round 3? It's possible there is an internal mismatch and this could help us identify the issue.

Bruno Kestemont Lv 1

Hi Sciren, I'm using main.

Sorry, by comparing the ligand properties, I see that I made several mistakes: the ligand was not the same.

After corrections, the resulting ligand matches well a library compound. No bug from your side :)