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Table 3 QSAR-RFR(PCA) simulation results on ECFP_6 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%

0.309

1.42

70%

0.3405

2.02

80%

0.334

2.95

90%

0.345

4.49

100% (without feature selection)

0.278

15.38

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