Table 2. The summary analysis of 3D-QSAR and 3D-QSSR models.
Statistical results | pIC50 (CDK4) | log[IC50 (CDK2)/IC50 (CDK4)] |
---|---|---|
q2a | 0.724 | 0.742 |
ONCb | 6 | 5 |
r2c | 0.965 | 0.923 |
F valued | 186.497 | 100.497 |
SEEe | 0.148 | 0.182 |
r2predf Field contribution | 0.945 | 0.863 |
Steric/Electrostatic | 0.548/0.452 | 0.444/0.556 |
aCross-validated coefficient;
bOptimal number of components;
cConventional correlation coefficient;
dFisher test value;
eStandard error of estimate;
fPredictive correlation coefficient.