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

Model

Validity

Efficiency

Accuracy

All

Class 1c

Class 0c

All

Class 1c

Class 0c

KnowTox-AA

0.81

0.82

0.81

0.87

0.80

0.78

eMolTox [35]a

–

0.76–0.81

0.81–0.82

0.94–0.99

–

–

Norinder et al. [33]b

0.80–0.81

0.81–0.83

0.79–0.82

–

0.79–0.82

0.78–0.79

  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
Back to article page

Journal of Cheminformatics

ISSN: 1758-2946

Contact us