Table 7 Best estimation of cubic regression models.

From: DFT based structural modeling of chemotherapy drugs via topological indices and curvilinear regression

Cubic best regression model

R2

F

Sig.

SE

RMSE

\(\:\text{D}\text{M}={{-1.115\times\:{10}^{-6}\text{H}}_{\text{M}}\left(\text{G}\right)}^{3}+0.001{{\text{H}}_{\text{M}}\left(\text{G}\right)}^{2}-0.209{\text{H}}_{\text{M}}\left(\text{G}\right)\:+\:16.480\)

0.740

2.851

0.206

1.783

1.167

\(\:\text{P}\:=4.345\times\:{10}^{-6}{{\text{H}}_{\text{M}}\left(\text{G}\right)}^{3}\:-0.003{{\text{H}}_{\text{M}}\left(\text{G}\right)}^{2}\:+\:{0.889\text{H}}_{\text{M}}\left(\text{G}\right)-50.363\)

0.918

11.17

0.039

1.889

1.236

\(\:\text{S}\text{E}\text{Z}\text{p}\text{E}=\:{1.200\text{E}-6\text{W}\left(\text{G}\right)}^{3}-0.002\text{W}{\left(\text{G}\right)}^{2}+0.088\:\text{W}\left(\text{G}\right)-504.105\)

0.860

6.154

0.085

158.3

103.6

\(\:\text{S}\text{E}\text{Z}\text{p}\text{E}=1.295\times\:{10}^{-8}\:{\text{G}\text{u}\text{t}\left(\text{G}\right)}^{3}-9.017\times\:{10}^{-5}\text{G}\text{u}\text{t}{\left(\text{G}\right)}^{2}-0.104\text{G}\text{u}\text{t}\left(\text{G}\right)-445.166\)

0.860

6.153

0.085

158.3

103.6

\(\:\text{Z}\text{p}\text{V}\text{E}=5.388\times\:{10}^{-5}{{\text{H}}_{\text{M}}\left(\text{G}\right)}^{3}{{-0.044\text{H}}_{\text{M}}\left(\text{G}\right)}^{2}+11.491\:\text{H}\left(\text{G}\right)-788.973\)

0.985

65.52

0.003

7.032

4.604

\(\:\text{E}=5.554\times\:{10}^{-5}{{\text{H}}_{\text{M}}\left(\text{G}\right)}^{3}{{-0.045\text{H}}_{\text{M}}\left(\text{G}\right)}^{2}+11.831{\text{H}}_{\text{M}}\left(\text{G}\right)-807.727\)

0.988

81.77

0.002

6.628

4.339

\(\:{\text{C}\text{V}=4.753\times\:{10}^{-8}\text{W}\left(\text{G}\right)}^{3}-0.000137\text{W}{\left(\text{G}\right)}^{2}+0.140\text{W}\left(\text{G}\right)+18.704\)

1.000

4335.0

0.000

0.310

0.203

\(\:\text{C}\text{V}={7.432\times\:{10}^{-10}\text{S}\text{u}\text{t}\left(\text{G}\right)}^{3}-8.360\times\:{10}^{-6}\text{S}\text{u}\text{t}{\left(\text{G}\right)}^{2}+0.033\:\text{S}\text{u}\text{t}\left(\text{G}\right)+21.944\)

1.000

2021.7

0.000

0.454

0.296

\(\:\text{S}={0.001\text{H}\left(\text{G}\right)}^{3}\:-0.161\text{H}{\left(\text{G}\right)}^{2}+8.707\text{H}\left(\text{G}\right)\:-33.024\)

0.984

61.96

0.003

3.570

2.337

\(\:\text{C}=1.734\times\:{10}^{-8}{\text{G}\text{u}\text{t}\left(\text{G}\right)}^{3}-0.000192{\text{G}\text{u}\text{t}\left(\text{G}\right)}^{2}+0.645\text{G}\text{u}\text{t}\left(\text{G}\right)-284.911\)

0.883

7.547

0.066

68.46

44.82

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