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# Table 5 Validated parameters of the QSAR model

Validation parameters | Model | Threshold | Remarks |
---|---|---|---|

Training set
| |||

Friedman LOF | 0.151244 | – | – |

R-squared (R^{2})
| 0.801298 | ≥ 0.6 | Passed |

Adjusted R-squared (\(R_{{{\text{adj}}}}^{2}\))
| 0.748311 | ≥ 0.5 | Passed |

Cross-validated R-squared (\(Q_{{{\text{cv}}}}^{2}\))
| 0.710284 | ≥ 0.5 | Passed |

R^{2} − \(Q_{{{\text{cv}}}}^{2}\)
| 0.091014 | ≤ 0.3 | Passed |

Significant regression | Yes | – | – |

Significance-of-regression F-value | 15.122516 | – | – |

Critical SOR F-value (95%) | 3.103976 | – | – |

Replicate points | 1 | – | – |

Computed experimental error | 0.21286 | – | – |

Lack-of-fit points | 14 | – | – |

Min expt. error for nonsignificant LOF (95%) | 0.000000 | – | – |

Test set
| |||

R-squared (\(R_{{{\text{test}}}}^{2}\)) i.e.\(r^{2}\) | 0.892 | ≥ 0.6 | Passed |

Number of test set compounds (N_{test set})
| 8 | ≥ 5 | Passed |

\(\left| {r_{o}^{2} - r_{o}^{{{^{\prime}}2}} } \right|\) | 0.00599 | ˂ 0.3 | Passed |

\(\left| {r^{2} - \frac{{r_{o}^{{{^{\prime}}2}} }}{{r^{2} }}} \right|\) | 0.00093 | ˂ 0.1 | Passed |

kʹ
| 1.03956 |
0.85 ≤ kʹ ≤ 1.15
| Passed |