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Table 6 Truth table for the 5-fold cross-validation of the NCGC IC50 FCFP_6 and BCI models

From: Predicting cytotoxicity from heterogeneous data sources with Bayesian learning

 

NCGC IC50 FCFP_6 model

NCGC IC50 BCI model

Experiment

Cytotoxic

Non-toxic

Cytotoxic

Non-toxic

Cytotoxic

1.5 ± 0.3

3.3 ± 1.2

1.7 ± 0.6

2.9 ± 1.4

Non-toxic

8.7 ± 2.0

86.6 ± 2.8

13.5 ± 1.8

81.9 ± 2.3