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Table 3 Statistical parameters of the developed G-QSAR models

From: Rational in silico drug design of HIV-RT inhibitors through G-QSAR and molecular docking study of 4-arylthio and 4-aryloxy-3-iodopyridine-2(1-H)-one derivative

Parameter

Model-I (SA-MLR)

Model-II (SA-PLS)

Model-III (SA-PCR)

n (training/test)

75/22

75/22

75/22

Degree of freedom

83.59

89.35

80.67

r2

0.7311

0.8524

0.7124

q2

0.6874

0.6925

0.6421

F_test

44.0779

55.0374

43.4689

r2_se

0.5214

0.5778

0.5647

q2_se

0.4056

0.4265

0.4136

pred_r2

0.7325

0.7421

0.7025

pred_r2se

0.3445

0.3078

0.3487

  1. r2 squared correlation coefficient, q2 cross-validated correlation coefficient of leave-one-out method (internal validation), F test Fisher test, Pred_r2 correlation coefficient of the training set (external validation), SE standard error