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Table 1 Derek Nexus performance against Merck test data

From: Avoiding hERG-liability in drug design via synergetic combinations of different (Q)SAR methodologies and data sources: a case study in an industrial setting

Expert model

ACC

BA

SENS

SPEC

PPV

NPV

MCC

KAPPA

Derek Nexus

0.75

0.63

0.43

0.84

0.44

0.84

0.27

0.27

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Journal of Cheminformatics

ISSN: 1758-2946

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