Dataset Groups Activity Stream DUD-E A dataset of 102 proteins, 22,886 active compounds, and over 1M decoys for training and testing. BibTex: @dataset{RS_Bohacek_and_C_McMartin_and_WC_Guida_2024, abstract = {A dataset of 102 proteins, 22,886 active compounds, and over 1M decoys for training and testing.}, author = {RS Bohacek and C McMartin and WC Guida}, doi = {10.57702/za57zqu7}, institution = {No Organization}, keyword = {'DUD-E', 'Ligand-based Virtual Screening', 'Virtual Screening'}, month = {dec}, publisher = {TIB}, title = {DUD-E}, url = {https://service.tib.eu/ldmservice/dataset/dud-e}, year = {2024} }
