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

Table 2 Conformal prediction models built for androgen receptor antagonism

Model name	Descriptors	nc^a	Balancing
Original	Morgan + MACCS	Default	No
Normalised	Morgan + MACCS + physchem^b	Normalised	No
Normalised + balanced	Morgan + MACCS + physchem^b	Normalised	Yes

ISSN: 1758-2946