A little less than a month left to submit predictions for Step #3 for those who were invited to advance to this stage. Predicted compounds will be tested experimentally and teams will be evaluated based on the amount, diversity, novelty, potency and drug-likeness of their experimentally confirmed molecules. Tanimoto distances based on ECFP4 fingerprints will be used to assess diversity. Novelty will be compared to known hits.
Created by Matthieu Schapira mschapira Hello,
the complete list of known active molecules is available in the file [known\_active\_molecules.csv](syn68753331). You'll be invited to join as co-author on an overview manuscript. You are welcome to write your own manuscript in addition to this. We will post a list of previously reported compounds shortly. Basically, these are mostly the compounds labelled as active in Step3_TestData_Target2035.parquet and 14_public_domain_WDR91_ligands.csv . A few analogs are missing and will be provided tomorrow. can you list all the compounds you have proved active? In case, we submit the active ones. By the way, at last, do we just publish the publication on our own or corporate with your institute? Simply do not include it in your selection. The goal is to find novel molecules that bind WDR91. If the molecule in the 2rd step is found in the Enmaine library, how should it be resolved?