Research Article

Fluconazole-Like Compounds as Potential Antifungal Agents: QSAR, Molecular Docking, and Molecular Dynamics Simulation

Table 2

The results of different QSAR model analysis.

Eq no.Equation22FSE2p

1. MLR0.710.6519.560.340.68
2. FA-MLR0.690.6413.740.390.65
3.GA_PLS0.840.780.140.82

2: regression coefficient for calibration set; 2: regression coefficient for leave-one-out cross-validation; 2p: regression coefficient for prediction set.