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Table 8 QSAR-RFR(SPCA) simulation results on FCFP_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%

0.334

8.29

70%

0.271

12.13

80%

0.245

17.44

90%

0.272

24.49

100% (without feature selection)

0.174

80.27