Research Article

3D-QSAR Studies of 1,2,4-Oxadiazole Derivatives as Sortase A Inhibitors

Table 1

PLS statistical parameters of the model QSAR model.

PLSSDStabilityRMSEPearson-

10.42850.7171238.31.62-0270.9940.450.67440.8302
20.37740.7830167.81.41-0310.9710.480.63230.8012
30.32540.8403161.41.57-0360.9070.440.69000.8342
40.28080.8824170.72.1-0410.8350.430.70560.8462
50.25030.9076176.85.91-0450.7730.450.67720.8314
60.22910.9235179.01.95-0470.7220.480.63190.8050
70.20700.9382190.92.31-0500.6740.490.61340.7970

SD: standard deviation of regression; : regression coefficient; : variance ratio (ratio of the model variance to the observed activity variance); : significance level of variance ratio; : Crossvalidated correlation coefficient for the test group; RMSE: the RMS error in the test group predictions; Pearson-: correlation among the predicted and observed activity for the test group.