Carcinogenicity is
expressed as the potency dose that induces
cancer in rats (TD50, in mg/kg body weight).
CORAL
calculations described in:
A.P.
Toropova, A.A. Toropova, R. Gonella Diaza, E. Benfenati, G.
Gini, Analysis of the co-evolutions of correlations as a tool
for
QSAR-modeling carcinogenicity: an unexpected good prediction based on a
model that seems untrustworthy. //Cent. Eur. J. Chem. 9 (2011) 165-174
Experimental
and calculated with CORAL
carcinogenicity (pTD50) values.
The
sub-training set, calibration set, and test
set are indicated by ‘+’, ‘-‘, and ‘#’, respectively.