Table 3. Developed QSAR/QSPR Models Using Two Different Methods of External Validations (i.e., LOIO–CV and Random).

external validations	number of data points in training set	modelsc
LOIO–CV	297a	ln (γH2O∞) = 16 + (W11.C0)+(W12.A0.010)+(W13.A0.017)+(W14)
random	285b	ln (γH2O∞) = 17 + (Q11.C0)+(Q12.A0.010)+(Q13.A0.017)+(Q14)

^a83 data points were set aside into validation set.

^b95 data points were set aside into validation set.

^cModels’ parameters: W1 = −240.0077, W2 = −11.3664, W3 = −28.5232, W4 = −28.9690, W5 = 51.8990, W6 = −26.6256, W7 = 82.5691, W8 = −70.7223, W9 = −68.4551, W10 = −1816.7257, W11 = 0.0102, W12 = −0.1697, W13 = 0.1319, W14 = −0.4159 and Q1 = −166.4001, Q2 = −10.9408, Q3 = −42.8764, Q4 = −23.3850, Q5 = 53.5780, Q6 = −28.7002, Q7 = 88.2013, Q8 = −75.1182, Q9 = −72.4609, Q10 = −1709.8307, Q11 = 0.0108, Q12 = −0.2002, Q13 = 0.1463, and Q14 = −0.4453.