we find some compound in the paper "Discovery of a First-in-Class Small-Molecule Ligand for WDR91 Using DNA-Encoded Chemical Library Selection Followed by Machine Learning". But it seems not in the known_active_file you spplied, which we tansfer smiles into InchiKey and drop the duplicated ones.
Created by Lei Zheng lz2826 Hello @lz2826,
the compounds in the referenced article should be present in the file [known\_active\_molecules.csv](syn68753331) identified using their ChEMBL ID.
Could you please send me a list of these missing compounds in private to determine if any error happened during the preparation of the list? Hi @lz2826 ,
Sorry, I can only help with Synapse-related questions. Tagging the challenge organizers, @mschapira @LucaChiesa , to help with this question as well. @vchung
Drop files to upload
we find some compound in the published paper of your insitute page is loading…