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

Models

Descriptors involved

C ^{
a}

t-test

Statistical parameters

Training set (N = 16)

Test set (N = 5)

R _{
cv}^{
2}

S ^{
2}

RMSE

Model IV Kc

Intercept

−51.133

−2.9682

0.89

0.74

23.33

1.16

0.53

3.18

(1/2) BETA (β) polarizability

0.0965

6.5208

Internal entropy at 300 K/no. of atoms in mo.

−3.7361

−2.6391

ESP-FNS3

106.17

5.3226

Min e-e REP-N

0.5821

4.5888

Model V Kc

Intercept

67.834

3.8027

0.74

0.44

11.61

2.58

0.77

2.23

BETA (β) polarizability

0.0164

2.8619

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

−1.5907

0.75

0.55

8.7

2.64

0.81

2.53

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.-CN

0.7650

1.9331

DPSA1D in CPSA

0.0170

1.8440

^{
a}C: 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.