Fig. 3From: Computational methods for prediction of in vitro effects of new chemical structuresExternal validation performance results of classifiers. Plot representing the external validation results, in terms of AUC, for the three targets (AhR, ER-LBD and HSE) comparing different best performing models (3NN, 5NN, 7NN, RF, NB, PNN, Ensemble (5NN + RF)) with our previous work [28] and Tox21 challenge winners for respective targetsBack to article page