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Table 1 Statistical description of data sets

From: CardioTox net: a robust predictor for hERG channel blockade based on deep learning meta-feature ensembles

Data set

Activity

Threshold

hERG blockers

hERG non-blockers

Total

Tanimoto mean

Training set

IC50

\(10 \,\upmu \hbox {M}\)

6643

5977

12620

0.124

Test set-I

IC50

\(10 \,\upmu \hbox {M}\)

30

14

44

0.136

Test set-II

IC50

\(10 \,\upmu \hbox {M}\)

11

30

41

0.116

Test set-III

IC50

\(10 \,\upmu \hbox {M}\)

30

710

740

0.115

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Journal of Cheminformatics

ISSN: 1758-2946

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