Skip to main content

Table 4 Estimated and experimental activity of the test set

From: Lead generation of UPPS inhibitors targeting MRSA: Using 3D-QSAR pharmacophore modeling, virtual screening, molecular docking, and molecular dynamic simulations

Name

Experimental activity

Estimated activity

Fit value

S1

58

1.52845

5.6558

S2

1.1

0.0262673

7.4206

S3

0.63

0.0250445

7.4413

S4

0.5

0.0446244

7.1905

S5

8.4

7.0014

4.9949

S6

11

1.71703

5.6053

S7

9.5

1.58512

5.6400

S8

9.2

6.60916

5.0199

S9

4.9

2.5735

5.4295