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[Preprint]. 2020 Sep 16:10.26434/chemrxiv.12915779.v2. [Version 2] doi: 10.26434/chemrxiv.12915779

Table 2.

Summary of the results of the best models.

Model Validation set results Test set results
ACC F1 SEN PREC AUC ACC F1 SEN PREC AUC
CPE 0.794 0.794 0.794 0.795 0.794 0.725 0.725 0.726 0.727 0.725
cytotox 0.771 0.771 0.771 0.772 0.771 0.7 0.7 0.7 0.7 0.7
AlphaLISA 0.788 0.788 0.788 0.79 0.789 0.762 0.762 0.762 0.762 0.762
TruHit 0.762 0.762 0.762 0.762 0.762 0.727 0.727 0.727 0.727 0.727
ACE2 0.806 0.805 0.804 0.812 0.804 0.452 0.452 0.453 0.453 0.452
3CL 0.803 0.802 0.803 0.81 0.803 0.672 0.671 0.671 0.672 0.671

ACC, Accuracy; F1, F1 score; SEN, sensitivity; PREC, precision; AUC, area under the receiver operating characteristic curve.