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Table 4 The best regression models for some ADMET related properties (Part 2)

From: ADMETlab: a platform for systematic ADMET evaluation based on a comprehensively collected ADMET database

Property Method Features mtry Twofold rate (CV/test) Threefold rate (CV/test)
CL RF 2D 10 0.760/0.816 0.877/0.897
T1/2 RF 2D 12 0.762/0.699 0.897/0.824
LD50 RF 2D 5 0.986/0.987 0.998/0.997
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Journal of Cheminformatics

ISSN: 1758-2946

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