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Journal of Big Data

Table 6 QSAR-RFR(SPCA) 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%

0.352

10.84

70%

0.299

14.74

80%

0.285

22.15

90%

0.366

32.11

100% (without feature selection)

0.303

81.61

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