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Table 4 External validation of the built model

From: QSAR, QSTR, and molecular docking studies of the anti-proliferative activity of phenylpiperazine derivatives against DU145 prostate cancer cell lines

MoleculeYexp.Ypred.(Yexp. − Ypred.)(Yexp. − Ypred.)2(Yexp.\( \overline{\boldsymbol{Y}} \)train.)(Yexp.\( \overline{\boldsymbol{Y}} \)train.)2
15.00794.84460.16330.026670.00450.000020
64.99524.82720.16800.02822− 0.00820.000067
75.19384.97350.22030.048530.19040.036252
84.55334.6312− 0.07790.00607− 0.45010.202590
165.03624.84100.19520.038100.03280.001076
175.27084.68670.58410.341170.26740.071503
265.05855.03490.02360.000560.05510.003036
296.08095.53710.54380.295721.07751.161006
315.64985.13710.51270.262860.64640.417833
356.06555.80440.26110.068171.06211.128056
374.67635.0227− 0.34640.11999− 0.32710.106994
 ∑(Yexp. − Ypred.)2 = 1.23606\( \sum {\left({Y}_{\exp .}-{\overline{Y}}_{\mathrm{train}}\right)}^2=3.128433 \)
 \( {\displaystyle \begin{array}{c}\therefore {R^2}_{\mathrm{ext}}=1\\ {}-\frac{1.23606}{3.128433}\\ {}=0.6049\end{array}} \)