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Table 1 Size and purpose of androgen receptor antagonism datasets used to validate the original conformal prediction model

From: KnowTox: pipeline and case study for confident prediction of potential toxic effects of compounds in early phases of development

DatasetPurposeActivesInactives
ToxCast-AA 762Train and test model8685842
In-house-AAValidation I280254
External-AAValidation II160201