Table 5: QSPR models of Kc for Bis(2,2′-bipyridine)platinum(II)-N-base adducts reactions.

ModelsDescriptors involvedC at-testStatistical parameters
Training set (N = 16)Test set (N = 5)
R cv 2 S 2 RMSE

Model IV
Kc
Intercept−51.133−2.96820.890.7423.331.160.533.18
(1/2) BETA (β) polarizability0.09656.5208
Internal entropy at 300 K/no. of atoms in mo.−3.7361−2.6391
ESP-FNS3 106.175.3226
Min e-e REP-N 0.58214.5888

Model V
Kc
Intercept67.8343.80270.740.4411.612.580.772.23
BETA (β) polarizability 0.01642.8619
Internal entropy at 300 K/no. of atoms in mo.−7.8412−4.6956
Min Re. E-CN−3.9563−2.3851

Model VI
Kc
Intercept−98.836−1.59070.750.558.72.640.812.53
Internal entropy at 300 K/no. of atoms in mo.−6.9666−4.1294
Avg. 1-e RI-C −741.89−1.7774
Max n-n Re.-CN0.76501.9331
DPSA1D in CPSA0.01701.8440

aC: the coefficients of the descriptors involved in the models, : the square of the regression correlation coefficient, : the cross-validated square of the regression correlation coefficient, : the -value for the regression, : the standard deviation of the regression.