Skip to main content

Table 2 QSAR-RFR(PCA) simulation results on ECFP_4 dataset

From: Artificial intelligence paradigm for ligand-based virtual screening on the drug discovery of type 2 diabetes mellitus

Number of features

\(R^2\) value

Running time

60%

0.317

1.33

70%

0.299

2.00

80%

0.286

2.89

90%

0.344

4.28

100% (without feature selection)

0.313

16.30