Skip to main content

Table 3 Comparison of original conformal prediction model for androgen receptor antagonism at 0.2 SL with other studies from literature

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

AllClass 1cClass 0cAllClass 1cClass 0c
eMolTox [35]a0.76–0.810.81–0.820.94–0.99
Norinder et al. [33]b0.80–0.810.81–0.830.79–0.820.79–0.820.78–0.79
  1. aValues of models fitted on two different AA datasets.
  2. bThree models with different fingerprints trained on one AA dataset
  3. cclass 1 = actives, class 0 = inactives