digicell research Predicting IC50 and related early wet lab values using AI experiments tuning black-box ◾ white-box ◽ references hyperparameter tuning IC50 prediction datasets https://www.bindingdb.org/bind/index.jsp - a dataset for mapping targets to ligands with binding scores. http://dude.docking.org/ - a Database of Useful Decoys: Enhanced (DUD-E).