Dataset Groups Activity Stream Tox21 Data Challenge The dataset used for the experiments in the paper, containing 12,000 molecules with 12 biological effects. BibTex: @dataset{Kristina_Preuer_and_Günter_Klambauer_and_Friedrich_Rippmann_and_Sepp_Hochreiter_and_Thomas_Unterthiner_2025, abstract = {The dataset used for the experiments in the paper, containing 12,000 molecules with 12 biological effects.}, author = {Kristina Preuer and Günter Klambauer and Friedrich Rippmann and Sepp Hochreiter and Thomas Unterthiner}, doi = {10.57702/5pvuchr1}, institution = {No Organization}, keyword = {'Biological effects', 'Molecules', 'Tox21', 'Toxicity prediction'}, month = {jan}, publisher = {TIB}, title = {Tox21 Data Challenge}, url = {https://service.tib.eu/ldmservice/dataset/tox21-data-challenge}, year = {2025} }